mychem.chemicals.annotation

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Retrieve comprehensive annotation for a single chemical compound by its InChIKey (e.g. "BSYNRYMUTXBXSQ-UHFFFAOYSA-N"), ChEMBL ID (e.g. "CHEMBL25"), PubChem CID (e.g. "CID2244"), or DrugBank ID (e.g. "DB00945"). Returns complete annotation from 16+ integrated databases: ChEBI chemical definition, IUPAC name, and synonyms; ChEMBL clinical development phase (0–4), molecule type, ATC therapeutic classification, Lipinski Ro5 properties (MW, XLogP, HBD, HBA, PSA, rotatable bonds), black-box warning flag, and withdrawal status; PubChem structural identifiers (CID, molecular formula, molecular weight, InChI, SMILES, heavy atom count, complexity score); DrugBank approved indication, mechanism of action, drug targets with gene names and pharmacological actions; PharmGKB clinical pharmacogenomics annotation count; SIDER reported side effects; and NDC product codes. Essential for drug discovery, cheminformatics pipelines, pharmacogenomics analysis, and clinical safety review.