Failure-mode evidence depth
Coverage meters, not risk scores. Open the linked section to read direction.Stack
Reviewed sequence, HELM, or SMILES representation used to interpret this peptide identity.
Molecular graph, chemical representation, 3D references, and covalent topology when available.
Computed sequence-derived descriptors and any measured physicochemical evidence such as lipophilicity.
Product-level route, label, and clinical context that frames peptide-level evidence.
What evidence describes systemic exposure or absorption?
What is known about distribution, binding, permeability, or barrier crossing?
What evidence describes clearance or persistence?
Cross-domain evidence distribution, traceability, and measurement-level detail for this peptide.
Reference-level support for checking reported names, sequence notation, and peptide identity agreement.
Stable record access, analysis-ready files, and scripted retrieval for reproducing this profile view.
Are molecular graph, topology, or 3D coordinates available?
Can basic developability descriptors be computed?
How stable is the peptide in biological matrices or protease systems?
What safety, toxicity, or tolerability evidence is attached?
Not availablePolymer notation for modified peptide representation when available.
Not availableChemical graph string used for atom-level 2D depiction when available.
Not availableA 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.
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.
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.
3 Ro5 violations · MW 1,431.06 Da
Reviewed observations retained without being collapsed into comparable values.
Endpoints define the scientific questions in this domain; the measurements below carry the values and assay context.
Bioavailability, AUC, Cmax, and Tmax evidence.
The same three research-facing layers are used across ADMETatlas.
Rows are grouped by endpoint so value, assay context, interpretation layer, and reference can be checked in place.
| # | Value | Evidence layer | Assay / model | Condition | Reference |
|---|---|---|---|---|---|
| 1 | 85 % | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: subcutaneous · Cetrorelix· Pharmacokinetics · bioavailability single percent · The mean absolute bioavai... | Open |
| 2 | 85 % | Comparable | PepTherDia curated product PK field | Route: SC · 42 · Cetrorelix · exact product name match · exact or normalized match | Open |
| # | Value | Evidence layer | Assay / model | Condition | Reference |
|---|---|---|---|---|---|
| 1 | 536 ng*h/mL | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table auc geomean 1 · t max median (min-max) [h... | Open |
| 2 | 31.4 ng*h/mL | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table auc geomean 2 · t max median (min-max) [h... | Open |
| 3 | 44.5 ng*h/mL | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table auc geomean 3 · t max median (min-max) [h... | Open |
| # | Value | Evidence layer | Assay / model | Condition | Reference |
|---|---|---|---|---|---|
| 1 | 28.5 ng/mL | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table cmax geomean 1 · t max median (min-max) [... | Open |
| 2 | 4.97 ng/mL | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table cmax geomean 2 · t max median (min-max) [... | Open |
| 3 | 6.42 ng/mL | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table cmax geomean 3 · t max median (min-max) [... | Open |
| # | Value | Evidence layer | Assay / model | Condition | Reference |
|---|---|---|---|---|---|
| 1 | 1.5 h 5400 seconds | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table tmax median 1 · t max median (min-max) [h... | Open |
| 2 | 1 h 3600 seconds | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table tmax median 2 · t max median (min-max) [h... | Open |
| 3 | 1 h 3600 seconds | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table tmax median 3 · t max median (min-max) [h... | Open |
Interpretation: Exposure and absorption values should be compared only within matching route, dose, matrix, population, and unit context.
Reviewed observations retained without being collapsed into comparable values.
Endpoints define the scientific questions in this domain; the measurements below carry the values and assay context.
Distribution volume, plasma protein binding, permeability, and BBB penetration evidence.
The same three research-facing layers are used across ADMETatlas.
Rows are grouped by endpoint so value, assay context, interpretation layer, and reference can be checked in place.
| # | Value | Evidence layer | Assay / model | Condition | Reference |
|---|---|---|---|---|---|
| 1 | 1.16 L/kg | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table vz · t max median (min-max) [h] 1.5 (0.5-... | Open |
| 2 | ~ 1 L/kg | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · volume of distribution single · Distribution The volume of... | Open |
| 3 | 0.39 L/kg | Comparable | Volume of distribution at steady state in human after iv administration · human | Route: iv · volume of distribution · Vdss· Volume of distribution at steady state in human after iv a... | Open |
| # | Value | Evidence layer | Assay / model | Condition | Reference |
|---|---|---|---|---|---|
| 1 | 86 % | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human · plasma | Cetrorelix· Pharmacokinetics · protein binding to human plasma percent · In vitro protein... | Open |
| 2 | 86 % | Comparable | PepTherDia curated product PK field · plasma protein | Route: SC · 42 · Cetrorelix · exact product name match · exact or normalized match | Open |
PAMPA, Caco-2, MDCK/RRCK, and BBB findings are assay/model contexts under Distribution / Barrier. They should not be read as interchangeable measurements.
artificial membrane
cell monolayer
cell monolayer
cell monolayer
barrier evidence
Interpretation: Distribution, protein binding, PAMPA, cell-monolayer, and BBB evidence are not interchangeable without matching assay/model context.
Reviewed observations retained without being collapsed into comparable values.
Endpoints define the scientific questions in this domain; the measurements below carry the values and assay context.
Clearance and half-life evidence.
The same three research-facing layers are used across ADMETatlas.
Rows are grouped by endpoint so value, assay context, interpretation layer, and reference can be checked in place.
| # | Value | Evidence layer | Assay / model | Condition | Reference |
|---|---|---|---|---|---|
| 1 | 1.2 mL/min/kg | Comparable | Clearance in human after iv administration · human | Route: iv · clearance · CL· Clearance in human after iv administration · Exact ChEMBL pref name CETRO... | Open |
| 2 | 1.28 mL/min/kg | Comparable | DailyMed SPL 12.3 Pharmacokinetics label extraction · human | Route: intravenous · Cetrorelix· Pharmacokinetics · cetrorelix table clearance arithmetic mean · t max median... | Open |
Interpretation: Clearance and half-life require route, matrix, species/population, and time-scale context before comparison.
Reported sequence string matches the current peptide notation.
Reported notation differs, but resolves to the same parent-residue display.
Reported notation does not resolve to the current display sequence.
The identity reference does not expose a sequence string.
No reported sequence notation is available in the current identity references.
No sequence representation
Grouped by reference link, with endpoint scope and reported identity kept visible.
| Reference | Supports | Reported identity | Records |
|---|---|---|---|
Reference link | DistributionExposurePersistence Area Under Curve, Bioavailability, Clearance, Max Concentration +3 more | No reported alias | 0 identity 14 evidence |
Reference link | DistributionExposure Bioavailability, Plasma Protein Binding | No reported alias | 1 identity 2 evidence |
PubMed 18426954 | DistributionPersistence Clearance, Volume Of Distribution | No reported alias | 0 identity 2 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.
Identity, sequence, profile-level fields, and current release view metadata.
Endpoint-level measurements attached to this peptide, suitable for review or reanalysis.
Nested peptide record for scripted retrieval, including identity and evidence context.
The request returns the same structured peptide record used by this profile. Measurement downloads use the same peptide identifier and public release visibility.
curl -sS 'https://admetatlas.scbdd.com/api/v1/peptides/ATLPC0019426' \
-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.