ChEMBL is a database of bioactive compounds, their quantitative properties and bioactivities (binding constants, pharmacology and ADMET, etc). The data is abstracted and curated from the primary scientific literature.

Prefix
chembl.compound
License
CC-BY-SA-3.0
Links
Homepage
Contact
David Mendez Lopez   0000-0002-0294-5484   nclopezo
Pattern for Local Unique Identifiers

Local identifiers in ChEMBL should match this regular expression:
^CHEMBL\d+$

Example Local Unique Identifier
CHEMBL465070   Resolve
Pattern for CURIES

Compact URIs (CURIEs) constructed from ChEMBL should match this regular expression:
^chembl\.compound:CHEMBL\d+$

Example CURIE
chembl.compound:CHEMBL465070
Ontology

A summary of the relations in the Bioregistry schema can be found here.

Part Of (bfo:0000050 )
chembl
Metaregistry ChEMBL

The metaregistry provides mappings between the Bioregistry and other registries. There are 6 mappings to external registries for this resource with 4 unique external prefixes.

Registry Name Registry Metaprefix External Prefix Curate
BioContext biocontext CHEMBL.COMPOUND
EDAM EDAM Ontology logo edam 2646
Identifiers.org Identifiers.org logo miriam chembl.compound
N2T Name-to-Thing logo n2t chembl.compound
TogoID togoid ChemblCompound
Wikidata Wikidata Property logo wikidata P592
RDF Information

When using this resource in RDF, the following URI format should be used:

http://rdf.ebi.ac.uk/resource/chembl/molecule/$1

Providers

A provider turns a local unique identifiers from a resource into a URI. Many providers are also resolvable as URLs (i.e., they can be used in a web browser).

The local unique identifier CHEMBL465070 is used to demonstrate the providers available for ChEMBL. A guide for curating additional providers can be found here.

Name Metaprefix URI
ChEMBL chembl.compound https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL465070
ChEMBL (RDF) rdf http://rdf.ebi.ac.uk/resource/chembl/molecule/CHEMBL465070
Bioregistry bioregistry https://bioregistry.io/chembl.compound:CHEMBL465070
Identifiers.org miriam https://identifiers.org/chembl.compound:CHEMBL465070
Name-to-Thing n2t https://n2t.net/chembl.compound:CHEMBL465070
Extra Providers

Additional providers curated in the Bioregistry are listed here. These are typically inherited from Identifiers.org or Prefix Commons, and need extra curation.

Code Name URL
CURATOR_REVIEW ChEMBL compound RDF http://linkedchemistry.info/chembl/chemblid/CHEMBL465070
CURATOR_REVIEW ChEMBL compound RDF through EBI RDF Platform https://rdf.ebi.ac.uk/resource/chembl/molecule/CHEMBL465070