#molecules

The ChEMBL database of bioactive molecules as an API — the EBI's manually curated knowledgebase of drug-like compounds and their biological activity, powered by the official ChEMBL data API. Look up a compound by its ChEMBL id for its development phase, chemical structure (SMILES, InChIKey), molecular formula and weight, calculated properties (ALogP, polar surface area, hydrogen-bond donors/acceptors, Rule-of-Five violations, QED drug-likeness) and synonyms; search compounds by name; read a biological target with its organism and UniProt protein components; list a drug's mechanisms of action; list its approved and investigational indications (MeSH and EFO terms with development phase); and pull its measured bioactivities (IC50, Ki, EC50, potency…) with values, units, pChEMBL scores, assays and targets. Ideal for drug-discovery and cheminformatics pipelines, medicinal-chemistry and pharmacology tools, target-identification and SAR research, and life-science apps.

api.oanor.com/chembl-api

Chemical compound data as an API, powered by NIH PubChem (>100 million compounds). Look up any compound by common name, PubChem CID or SMILES and get its molecular formula, molecular and exact mass, IUPAC name, canonical SMILES, InChI and InChIKey, plus physicochemical properties (XLogP, TPSA, formal charge, hydrogen-bond donor/acceptor counts, rotatable bonds, heavy-atom count). List a compound's synonyms and trade/registry names, or resolve a name to PubChem CIDs. Ideal for cheminformatics, lab software, education, drug-discovery tooling and scientific data pipelines.

api.oanor.com/chemistry-api