Peptide·plain sequence-like

Cetrorelix

ATLPC0019426

Routes

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Coveragecounts only · not riskATLPC0019426

Measurements
18
Endpoints
7
Domains
3/5
Products
1

No matrix stability evidence
2 clearance measurements
Product-level review pending
No sequence liability cues

Jump to domain

Open the matching evidence section below

All evidence index · 18

Exposure / Absorption

11 measurements

Distribution / Barrier

5 measurements

Metabolic & Proteolytic Stability

No evidence

Excretion / Persistence

2 measurements

Toxicity / Safety

No evidence

Sequence & molecular identity

1 forms

Reviewed sequence, peptidoform forms, chemical representation, 3D references, and covalent topology used to interpret this peptide identity.

No reviewed sequence representation available

This peptide currently has identity-level evidence, but no reviewed sequence, HELM, or SMILES representation for residue-level interpretation.

Structure & chemistry

Chemical representationnone

Representation class

How the current release can interpret this identity chemically.

plain sequence-like

Parent-residue sequence

Residue string used for positional interpretation when available.

Not available

HELM

Polymer notation for modified peptide representation when available.

Not available

SMILES

Chemical graph string used for atom-level 2D depiction when available.

Not available

No atom-level graph

A reviewed SMILES is required before a 2D molecular depiction can be shown. Sequence and HELM remain useful for identity interpretation, but they do not replace a chemical graph.

3D structure referencesnone attached

3D structure not available

A 3D structure isn't available for this peptide in the current release. Chemistry and topology fields remain available when represented by sequence, HELM, or SMILES.

Covalent topology & modifications1 signal

Feature	Positions	Interpretation	Link
Form-level topology	ATLPF0017264	Open-chain form. Residue-level connection endpoints are shown separately when available.	Not linked

Physicochemical profile

6 descriptors

Computed sequence-derived descriptors and any measured physicochemical evidence such as lipophilicity. Computed values are interpretation aids, not experimental ADMET measurements.

Physicochemical descriptors unavailable

These descriptors require a standard parent-residue sequence. The module remains visible so modified or unresolved identities are not forced into unreliable computed values.

Computed developability descriptors

Deterministic descriptors computed from the reviewed sequence or chemical structure (RDKit), each anchored to a literature method. These are computed estimates for developability interpretation — not experimental measurements — and are validated against independent reference implementations.

Structure-derived (developability)

Computed from the representative peptidoform's chemical structure. Rule-of-5 / beyond-Ro5 framing per Lipinski/Doak.

Topological polar surface area

498.2 Å²

Computed logP (Crippen)

-0.72

Computed logP — distinct from the measured logD endpoint.

Hydrogen-bond donors

Hydrogen-bond acceptors

Rotatable bonds

Rule-of-5 / beyond-Ro5 flags

Beyond bRo5

3 Ro5 violations · MW 1,431.06 Da

Exposure / Absorption

11 records

What evidence describes systemic exposure or absorption?

Evidence records

Complete canonical measurements and observations attached to this domain.

Endpoint scope

Formal ADMET endpoints represented for this peptide.

Matched-context analysis

Quantitative results that may be analysed only with scientifically compatible records.

Reported-result review

Qualitative, narrative, or review-first results interpreted in their source context.

Endpoints in scopeBioavailability Tmax Cmax AUC

Evidence interpretation

Result type, analysis use, and source-check status are kept separate so a numerical value is not mistaken for a universally comparable result.

Eligible for matched-context analysis

Quantitative results whose endpoint and context must still be matched before analysis.

Interpret as reported

Qualitative, narrative, or review-first findings preserved in source context.

Supporting context only

Reference, label, clinical, or supporting context for interpretation.

Review before analysis

Records whose present structure does not establish a safe analysis role.

Evidence by endpoint

Rows are grouped by endpoint so value, assay context, interpretation layer, and reference can be checked in place.

Bioavailability2 records · 0 matched-context · 2 as reported · 0 context only · 0 review required

#	Value	Analysis use	Assay / model	Result context	Reference
1	85 %	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: subcutaneous · Cetrorelix· Pharmacokinetics · bioavailability single percent · The mean absolute bioavai... · Source: Primary reference linked	Reference
2	85 %	Use only explicitly reported fields	Not specified	Result: Reported point value · Molecular form: not reported · Route: SC · 42 · Cetrorelix · exact product name match · exact or normalized match · Source: Primary reference linked	Source record

AUC3 records · 0 matched-context · 3 as reported · 0 context only · 0 review required

#	Value	Analysis use	Assay / model	Result context	Reference
1	536 ng*h/mL	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table auc geomean 1 · t max median (min-max) [h... · Source: Primary reference linked	Reference
2	31.4 ng*h/mL	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table auc geomean 2 · t max median (min-max) [h... · Source: Primary reference linked	Reference
3	44.5 ng*h/mL	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table auc geomean 3 · t max median (min-max) [h... · Source: Primary reference linked	Reference

Cmax3 records · 0 matched-context · 3 as reported · 0 context only · 0 review required

#	Value	Analysis use	Assay / model	Result context	Reference
1	28.5 ng/mL	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table cmax geomean 1 · t max median (min-max) [... · Source: Primary reference linked	Reference
2	4.97 ng/mL	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table cmax geomean 2 · t max median (min-max) [... · Source: Primary reference linked	Reference
3	6.42 ng/mL	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table cmax geomean 3 · t max median (min-max) [... · Source: Primary reference linked	Reference

Tmax3 records · 0 matched-context · 3 as reported · 0 context only · 0 review required

#	Value	Analysis use	Assay / model	Result context	Reference
1	1.5 h 5400 seconds	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table tmax median 1 · t max median (min-max) [h... · Source: Primary reference linked	Reference
2	1 h 3600 seconds	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table tmax median 2 · t max median (min-max) [h... · Source: Primary reference linked	Reference
3	1 h 3600 seconds	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table tmax median 3 · t max median (min-max) [h... · Source: Primary reference linked	Reference

Distribution / Barrier

5 records

What is known about distribution, binding, permeability, or barrier crossing?

Evidence records

Complete canonical measurements and observations attached to this domain.

Endpoint scope

Formal ADMET endpoints represented for this peptide.

Matched-context analysis

Quantitative results that may be analysed only with scientifically compatible records.

Reported-result review

Qualitative, narrative, or review-first results interpreted in their source context.

Endpoints in scopePlasma protein binding Vd

Evidence interpretation

Result type, analysis use, and source-check status are kept separate so a numerical value is not mistaken for a universally comparable result.

Eligible for matched-context analysis

Quantitative results whose endpoint and context must still be matched before analysis.

Interpret as reported

Qualitative, narrative, or review-first findings preserved in source context.

Supporting context only

Reference, label, clinical, or supporting context for interpretation.

Review before analysis

Records whose present structure does not establish a safe analysis role.

Evidence by endpoint

Rows are grouped by endpoint so value, assay context, interpretation layer, and reference can be checked in place.

Vd3 records · 1 matched-context · 2 as reported · 0 context only · 0 review required

#	Value	Analysis use	Assay / model	Result context	Reference
1	0.39 L/kg	Eligible when experimental context matches	Volume of distribution at steady state in human after iv administration · human	Result: Reported point value · Molecular form: not reported · Route: iv · volume of distribution · Vdss· Volume of distribution at steady state in human after iv a... · Source: Primary reference linked	Reference
2	1.16 L/kg	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table vz · t max median (min-max) [h] 1.5 (0.5-... · Source: Primary reference linked	Reference
3	~ 1 L/kg	Use only explicitly reported fields	human	Result: Approximate quantitative measurement · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · volume of distribution single · Distribution The volume of... · Source: Primary reference linked	Reference

Plasma protein binding2 records · 0 matched-context · 2 as reported · 0 context only · 0 review required

#	Value	Analysis use	Assay / model	Result context	Reference
1	86 %	Use only explicitly reported fields	human · plasma	Result: Reported point value · Molecular form: ATLPF0017264 · Cetrorelix· Pharmacokinetics · protein binding to human plasma percent · In vitro protein... · Source: Primary reference linked	Reference
2	86 %	Use only explicitly reported fields	plasma protein	Result: Reported point value · Molecular form: not reported · Route: SC · 42 · Cetrorelix · exact product name match · exact or normalized match · Source: Primary reference linked	Source record

Barrier and permeability assay context

PAMPA, Caco-2, MDCK/RRCK, and BBB findings are assay/model contexts under Distribution / Barrier. They should not be read as interchangeable measurements.

PAMPA

artificial membrane

Caco-2

cell monolayer

MDCK

cell monolayer

RRCK

cell monolayer

BBB

barrier evidence

Excretion / Persistence

2 records

What evidence describes clearance or persistence?

Evidence records

Complete canonical measurements and observations attached to this domain.

Endpoint scope

Formal ADMET endpoints represented for this peptide.

Matched-context analysis

Quantitative results that may be analysed only with scientifically compatible records.

Reported-result review

Qualitative, narrative, or review-first results interpreted in their source context.

Endpoints in scopeClearance

Evidence interpretation

Result type, analysis use, and source-check status are kept separate so a numerical value is not mistaken for a universally comparable result.

Eligible for matched-context analysis

Quantitative results whose endpoint and context must still be matched before analysis.

Interpret as reported

Qualitative, narrative, or review-first findings preserved in source context.

Supporting context only

Reference, label, clinical, or supporting context for interpretation.

Review before analysis

Records whose present structure does not establish a safe analysis role.

Evidence by endpoint

Rows are grouped by endpoint so value, assay context, interpretation layer, and reference can be checked in place.

Clearance2 records · 1 matched-context · 1 as reported · 0 context only · 0 review required

#	Value	Analysis use	Assay / model	Result context	Reference
1	1.2 mL/min/kg	Eligible when experimental context matches	Clearance in human after iv administration · human	Result: Reported point value · Molecular form: not reported · Route: iv · clearance · CL· Clearance in human after iv administration · Exact ChEMBL pref name CETRO... · Source: Primary reference linked	Reference
2	1.28 mL/min/kg	Use only explicitly reported fields	human	Result: Reported point value · Molecular form: ATLPF0017264 · Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table clearance arithmetic mean · t max median... · Source: Primary reference linked	Reference

Evidence landscape

18 records

Cross-domain evidence distribution and measurement-level detail; the domain modules above show evidence in context, and every row remains available for audit here.

Evidence landscape

A cross-domain view of evidence volume, scientifically permitted analysis use, and source traceability.

ADMET domain

Eligible when context matches

Interpret as reported

Supporting context only

Review before analysis

Exposure / Absorption

11 evidence records

Distribution / Barrier

5 evidence records

Metabolic & Proteolytic Stability

0 evidence records

Excretion / Persistence

2 evidence records

Toxicity / Safety

0 evidence records

Endpoint distribution

Top evidence-bearing endpoint questions.

Area Under Curve

Max Concentration

Time To Max Concentration

Volume Of Distribution

Bioavailability

Clearance

Plasma Protein Binding

Assay context

Broad context buckets, useful before comparing values.

In vivo / route

Clinical / product

Matrix / stability

Traceability

Reference-link availability for measurement-level audit.

Linked reference

Not linked

All evidence index

Every evidence record remains available for audit and drilldown. Counts describe evidence volume, not confidence.

DomainAnalysis useReferenceMatrixRoute

#	ADMET domain	Endpoint	Reported value	Result type	Analysis use	Assay / model	Condition	Reference
1	Distribution / Barrier Distribution	Plasma Protein Binding	86 %	Reported point value	Use only explicitly reported fields	plasma protein	Route: SC	Source record Primary reference linked
2	Exposure / Absorption Exposure	Bioavailability	85 %	Reported point value	Use only explicitly reported fields	Not specified	Route: SC	Source record Primary reference linked
3	Distribution / Barrier Distribution	Volume Of Distribution	0.39 L/kg	Reported point value	Eligible when experimental context matches	Volume of distribution at steady state in human after iv administration · human	Route: iv · chembl_activity_endpoint_review_v0_1 · ChEMBL molecule_type Protein	Reference Primary reference linked
4	Excretion / Persistence Persistence	Clearance	1.2 mL/min/kg	Reported point value	Eligible when experimental context matches	Clearance in human after iv administration · human	Route: iv · chembl_activity_endpoint_review_v0_1 · ChEMBL molecule_type Protein	Reference Primary reference linked
5	Exposure / Absorption Exposure	Time To Max Concentration	1.5 h 5,400 seconds	Reported point value	Use only explicitly reported fields	human	Route: intravenous	Reference Primary reference linked
6	Exposure / Absorption Exposure	Time To Max Concentration	1 h 3,600 seconds	Reported point value	Use only explicitly reported fields	human	Route: intravenous	Reference Primary reference linked
7	Exposure / Absorption Exposure	Time To Max Concentration	1 h 3,600 seconds	Reported point value	Use only explicitly reported fields	human	Route: intravenous	Reference Primary reference linked
8	Exposure / Absorption Exposure	Max Concentration	28.5 ng/mL	Reported point value	Use only explicitly reported fields	human	Route: intravenous	Reference Primary reference linked
9	Exposure / Absorption Exposure	Max Concentration	4.97 ng/mL	Reported point value	Use only explicitly reported fields	human	Route: intravenous	Reference Primary reference linked
10	Exposure / Absorption Exposure	Max Concentration	6.42 ng/mL	Reported point value	Use only explicitly reported fields	human	Route: intravenous	Reference Primary reference linked

1–10 / 18

Product context

1 products

Product-level route, label, and clinical context that frames peptide-level evidence. A peptide-level summary only; product pages keep the full drilldown.

Summary1 linked product

Linked products: 1
Label context: None
Clinical trials: 28
Safety label cues: None

Linked products1 shown

Cetrorelix

Peptide-product match

Reviewed peptide match

Route / product class

subcutaneous · Injection, powder

Clinical context

28 trial records · 9 exact intervention matches · 5 with results · latest 2026-01-20

Label safety context

No label safety cue linked

View product

Identity & reference map

18 sources

Reference-level support for checking reported names, sequence notation, and peptide identity agreement.

Summary3 reference groups

Identity type: identity record
Reported notation: 1
Reference groups: 3
Measurements: 18
ATL peptide ID: ATLPC0019426

Identity concordance

Exact reported notation

Reported sequence string matches the current peptide notation.

0 / 18

Parent-residue compatible

Reported notation differs, but resolves to the same parent-residue display.

0 / 18

Different notation

Reported notation does not resolve to the current display sequence.

2 / 18

Source sequence not captured

No source-specific sequence was captured for comparison; this is not interpreted as agreement or disagreement.

16 / 18

Reported sequence notation

Different2 references

Ac-XXXSYXLRPa-NH2

Current identity

No sequence representation

Reported names

No distinct human-readable aliases are exposed.

Reference map3 reference groups

Reference map

Grouped by reference link, with endpoint scope and reported identity kept visible.

Reference	Supports	Reported identity	Records
Reference Open	DistributionExposurePersistence Area Under Curve, Bioavailability, Clearance, Max Concentration +3 more	No reported alias	14 identity 14 evidence
Source record Open	DistributionExposure Bioavailability, Plasma Protein Binding	No reported alias Ac-XXXSYXLRPa-NH2different	2 identity 2 evidence
Reference Open	DistributionPersistence Clearance, Volume Of Distribution	No reported alias	2 identity 2 evidence

Data access & reproducibility

Stable record access, analysis-ready files, and scripted retrieval for reproducing this profile view.

Record scopePublic release

ATL peptide ID: ATLPC0019426
Identity type: identity record
ADMET endpoints: 7
Evidence records: 18
Reference groups: 3
Release view: Public release

Data access

Structured peptide profile

JSON

Peptide-specific profile used by this page, including identity and evidence context.

Open JSON

Peptide catalogue

TSV

Complete frozen peptide table. Filter the ATL peptide ID column locally to isolate this record.

Download catalogue

Measurement catalogue

TSV

Complete frozen measurement table. Join or filter by ATL peptide ID for peptide-level analysis.

Download measurements

Programmatic access

The request returns the same structured peptide record used by this profile. The tabular downloads are complete frozen release tables and should be filtered locally by ATL peptide ID.

Open endpoint

GET /api/v1/peptides/ATLPC0019426

open

curl -sS 'https://admetatlas.scbdd.com/api/v1/peptides/ATLPC0019426' \
  -H 'accept: application/json' \
  -H 'X-Visibility: public_release'

Feature

Positions

Interpretation

Link

Form-level topology

ATLPF0017264

Open-chain form. Residue-level connection endpoints are shown separately when available.

Not linked

Value

Analysis use

Assay / model

Result context

Reference

85 %

Use only explicitly reported fields

human

Result: Reported point value · Molecular form: ATLPF0017264 · Route: subcutaneous · Cetrorelix· Pharmacokinetics · bioavailability single percent · The mean absolute bioavai... · Source: Primary reference linked