ATLPC0006307

ATLPC0006307 — ADMETatlas

Structure and chemistry interpretation

Chemical representationSMILES available

2D structure·RDKit.js

rendering molecule…

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C

Representation class

How the current release can interpret this identity chemically.

map backed

Parent-residue sequence

Residue string used for positional interpretation when available.

TDTNVIGECFDEWSRCHRQTRWWTKILFQSCENRCKCKVQLMGNCIKVPFKCFLWKQKRFMCECYGPISGTKPWYCGWEL

HELM

Polymer notation for modified peptide representation when available.

TDTNVIGECFDEWSRCHRQTRWWTKILFQSCENRCKCKVQLMGNCIKVPFKCFLWKQKRFMCECYGPISGTKPWYCGWEL

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 & modificationsnone

No explicit topology annotation

No disulfide, staple, coordination, other cross-link, or residue-level modification annotation is attached to this peptide in the current release.

Interpretation: A 2D graph describes connectivity, not conformation. A 3D reference describes one coordinate model or solved state, not the full ensemble. ADMET interpretation should account for peptidoform, topology, and assay context together.

Computed descriptors

Core descriptors80 aa · pI 8.6 · GRAVY -0.47

Length: 80 aa
Monoisotopic mass: 9704.56 Da
Average mass: 9711.41 Da
Net charge at pH 7.4: 6.10
Estimated pI: 8.57
GRAVY: -0.475
KD-positive residues: 35.0%
Aromatic residues: 16.3%

Developability interpretation

Ionization context: pH 7.4 separated from pI
Hydrophobicity balance: Leans hydrophilic
Amphipathic moment (μH): 0.57
Computation boundary: Standard-sequence only

Charge & residue composition

pH charge context

Modeled net charge across common formulation and assay pH checkpoints.

pH 2

14.91

pH 5

7.71

pH 6

6.81

pH 7.4

Hydropathy & amphipathic windows

Hydropathy windows

Seven-residue sliding windows expose local patches hidden by whole-sequence GRAVY.

Most hydrophobic window

48-54

VPFKCFL

GRAVY 1.514

Most hydrophilic window

15-21

RCHRQTR

GRAVY -2.629

74 local hydropathy windows scanned. A local patch is context for solubility, adsorption, and membrane interaction review, not a standalone endpoint.

Amphipathic-window scan

Top alpha-helix hydrophobic-moment windows across 12, 15, 18, and 21 residues.

Sequence-liability cues

Sequence-liability notes

Motifs are review prompts for formulation or CMC interpretation; they are not degradation predictions.

Asp isomerization motif

DT · pos 2

Asp-containing motifs can merit review for isomerization or related degradation pathways.

Oxidation-sensitive residues

M, W, C · pos 9, 13, 16, 22, 23, 31 +12

Met, Trp, and Cys residues can merit formulation review for oxidation or covalent-state sensitivity.

Cys covalent complexity

C · pos 9, 16, 31, 35, 37, 45 +4

Multiple cysteines can indicate disulfide or free-thiol interpretation requirements.

Alpha-helix amphipathic projection

Helical wheel · Edmundson projection

μ_H = 0.57100°/residue · 80 aa

Method notes

Charge model: side-chain pKa D 3.9, E 4.1, C 8.5, Y 10.1, H 6.5, K 10.8, R 12.5 with EMBOSS termini. pI is estimated by binary search on modeled net charge. Hydropathy uses Kyte-Doolittle values; hydrophobic moment follows the Eisenberg alpha-helix vector-sum convention. When the basis is a parent-residue sequence, modified chemistry is intentionally not inferred.

5. Toxicity / Safety

What safety, toxicity, or tolerability evidence is attached?

Evidence summary

Measurements

Measurements, observations, and support attached to this domain.

Endpoint scope

Formal ADMET endpoints represented for this peptide.

Comparable measurements

Rows suitable for comparison only within matching endpoint and assay context.

Reported observations

Reviewed observations retained without being collapsed into comparable values.

Domain scope

Endpoints define the scientific questions in this domain; the measurements below carry the values and assay context.

% hemolysis

Hemolysis, cytotoxicity, clinical adverse-event context, and nonclinical safety context.

Evidence interpretation

The same three research-facing layers are used across ADMETatlas.

Comparable measurements

Evidence by endpoint

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

% hemolysis4 measurements · 4 comparable · 0 reported · 0 contextual

#	Value	Evidence layer	Assay / model	Condition	Reference
1	2 %	Comparable	Human erythrocytes · Human erythrocytes · human · RBC	Not specified	Open
2	1 %	Comparable	Human erythrocytes · Human erythrocytes · human · RBC	Not specified	Open
3	4 %	Comparable	Human erythrocytes · Human erythrocytes · human · RBC	Not specified	Open
4	3 %	Comparable	Human erythrocytes · Human erythrocytes · human · RBC	Not specified	Open

Interpretation: Clinical and nonclinical context can guide interpretation, but it is not incidence, causality, or a comparable endpoint measurement.

Evidence landscape and measurement index

Evidence landscape

A cross-domain view of where evidence is concentrated, which interpretation layers dominate, and how traceable the measurements are.

ADMET domain

Comparable

Reported

Contextual

Exposure / Absorption

0 measurements

Distribution / Barrier

0 measurements

Metabolic & Proteolytic Stability

0 measurements

Excretion / Persistence

0 measurements

Toxicity / Safety

4 measurements

Endpoint distribution

Top evidence-bearing endpoint questions.

Hemolysis Percent Observation

Assay context

Broad context buckets, useful before comparing values.

In vivo / route

Traceability

Reference-link availability for measurement-level audit.

Linked reference

Not linked

All evidence index

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

DomainLayerReference

#	ADMET domain	Endpoint	Reported value	Evidence layer	Assay / model	Condition	Reference
1	Toxicity / Safety Safety	Hemolysis Percent Observation	2 %	Comparable	Human erythrocytes · human · RBC	Not specified	Open
2	Toxicity / Safety Safety	Hemolysis Percent Observation	1 %	Comparable	Human erythrocytes · human · RBC	Not specified	Open
3	Toxicity / Safety Safety	Hemolysis Percent Observation	4 %	Comparable	Human erythrocytes · human · RBC	Not specified	Open
4	Toxicity / Safety Safety	Hemolysis Percent Observation	3 %	Comparable	Human erythrocytes · human · RBC	Not specified	Open

1–4 / 4

Identity & reference map

Summary1 reference group

Identity type: canonical sequence
Reported notation: 1
Reference groups: 1
Measurements: 4
ATL peptide ID: ATLPC0006307

Identity concordance

Exact reported notation

Reported sequence string matches the current peptide notation.

4 / 4

Parent-residue compatible

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

0 / 4

Different notation

Reported notation does not resolve to the current display sequence.

0 / 4

Reference map1 of 1 shown

Reference map

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

Reference	Supports	Reported identity	Records
PubMed 23103587 Open	Safety Hemolysis Percent Observation	No reported alias TDTNVIGECFDEWSRCHRQ...CECYGPISGTKPWYCGWELexact	4 identity 4 evidence

Interpretation: Reference links and reported notations help confirm that measurements point to the same peptide identity or a compatible peptidoform. ADMET interpretation still belongs to the endpoint modules above, where assay/model and condition context are shown with each measurement.

Data access & reproducibility

Record scopePublic release

ATL peptide ID: ATLPC0006307
Identity type: canonical sequence
ADMET endpoints: 1
Measurements: 4
Reference groups: 1
Release view: Public release

Analysis-ready files

Peptide record

TSV

Identity, sequence, profile-level fields, and current release view metadata.

Download record

Programmatic access

The request returns the same structured peptide record used by this profile. Measurement downloads use the same peptide identifier and public release visibility.

Open endpoint

GET /api/v1/peptides/ATLPC0006307

open

curl -sS 'https://admetatlas.scbdd.com/api/v1/peptides/ATLPC0006307' \
  -H 'accept: application/json' \
  -H 'X-Visibility: public_release'

Interpretation: Use these files as the reproducible data package for this peptide profile. Cross-peptide comparison still depends on compatible endpoints, assays, species or model systems, route, dose, matrix, and evidence layer.

ATLPC0006307

Peptide developability profile

1. Sequence & peptidoform

Sequence interpretation

2. Structure & chemistry

Structure and chemistry interpretation

3. Physicochemical profile

Computed descriptors

Computed developability descriptors

4. Product context

Translational product context

5. Toxicity / Safety

Evidence summary

6. Evidence landscape

Evidence landscape and measurement index

7. Identity & reference map

Identity & reference map

8. Data access & reproducibility

Data access & reproducibility

Peptide record

Evidence table

Structured record