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ChEMBL Molecule API

Chemical molecules including properties, structural representations, synonyms, and drug-like properties.

ChEMBL Molecule API is one of 16 APIs that ChEMBL publishes on the APIs.io network, described by a machine-readable OpenAPI specification.

Tagged areas include Molecule. The published artifact set on APIs.io includes an OpenAPI specification and API documentation.

This API exposes 5 operations across 5 paths, and defines 5 schemas. It is described by OpenAPI 3.0.3, at version ChEMBL_37.

Requests are made against a single base URL, https://www.ebi.ac.uk/chembl/api/data.

5 operations 5 paths 5 schemas 5 GET

Metadata

The identity and technical contract details declared by the specification.

Specification
OpenAPI 3.0.3
API Version
ChEMBL_37
Base URL
https://www.ebi.ac.uk/chembl/api/data/
Terms of Service
Resource Areas
1

Paths & Operations 5

Across 5 paths, the API surfaces 5 operations — 5 GET. Each is listed below with its method, path, parameters, and response codes.

Molecule 5

Chemical molecules including properties, structural representations, synonyms, and drug-like properties.

GET
/molecule
List molecules
listMolecules 9 params → 200400404
GET
/molecule/{molecule_chembl_id}
Get molecule by ChEMBL ID
getMolecule 2 params → 200404
GET
/molecule/search
Search molecules
searchMolecules 4 params → 200
GET
/image/{molecule_chembl_id}
Get molecule structure image
getMoleculeImage 3 params → 200404
GET
/xref_source
List cross-reference sources
listXrefSources 3 params → 200

Schemas 5

The contract defines 5 schemas that model the data the API accepts and returns. The most detailed are Molecule (24 properties), MoleculeProperties (23 properties), Meta (5 properties), MoleculeStructures (4 properties). Each schema is shown below with its type and property counts.

MoleculeStructures
object
Structural representations of a molecule
4 properties
Error
object
2 properties
Meta
object
Pagination metadata for list responses
5 properties
Molecule
object
A chemical molecule in the ChEMBL database
24 properties
MoleculeProperties
object
Calculated physicochemical properties of a molecule
23 properties

Specification

The full machine-readable OpenAPI contract behind this narrative.

Source

chembl-molecule-api-openapi.yml Raw ↑

Other APIs ChEMBL publishes across the network.

ChEMBL Activity API
ChEMBL Assay API
ChEMBL ATC Classification API
ChEMBL Binding Site API
ChEMBL Cell Line API
ChEMBL Compound Record API
ChEMBL Document API
ChEMBL Drug API
ChEMBL Drug Indication API
ChEMBL Drug Warning API
ChEMBL Mechanism API
ChEMBL Similarity API