ChEMBL — Molecule Detail by ID
chembl.molecules.detailRetrieve full structural and pharmacological data for a specific ChEMBL molecule. Returns canonical SMILES, standard InChI, InChIKey, molecular formula, exact weight, ALogP, polar surface area, hydrogen bond count, QED drug-likeness score (0–1), Lipinski rule-of-5 violations, black box warning flag, natural product flag, clinical phase (max_phase), first approval year, ATC codes, and administration routes. Use chembl.molecules.search to discover ChEMBL IDs (format: CHEMBL25, CHEMBL521). Source: EMBL-EBI ChEMBL — CC BY-SA 3.0, no auth required.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| chembl_id | Yes | ChEMBL molecule identifier (e.g. CHEMBL25 for aspirin, CHEMBL521 for ibuprofen). Use chembl.molecule.search to find IDs by name. |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| error | No | Present only when the call failed. Includes error code, message, request_id, and any provider-specific extras. | |
| result | No | Tool response payload. Shape varies per tool — consult the tool description and inputSchema. May be an object, array, string, or number depending on the upstream provider response. |