Search Chemical Compounds
mychem.chemicals.searchSearch the MyChem.info database of 197M+ annotated chemical compounds using a flexible query syntax. Query by: common name (e.g. "aspirin"), IUPAC name (e.g. "acetylsalicylic acid"), InChIKey (e.g. "BSYNRYMUTXBXSQ-UHFFFAOYSA-N"), molecular formula (e.g. "C9H8O4"), ChEMBL ID (e.g. "CHEMBL25"), PubChem CID (e.g. "pubchem.cid:2244"), DrugBank ID (e.g. "DB00945"), or field-scoped queries (e.g. "drugbank.groups:approved AND chembl.max_phase:4"). Each result includes chemical names across databases (ChEBI, ChEMBL, DrugBank, PharmGKB), structural properties (molecular formula, weight, XLogP, H-bond donors/acceptors, TPSA, rotatable bonds), drug development phase, ATC classification codes, and approval status. Integrates DrugBank, ChEMBL, ChEBI, PubChem, PharmGKB, SIDER, DrugCentral, NDC, and 16+ annotation sources.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| q | Yes | Chemical search query. Supports: common name (e.g. "aspirin"), IUPAC name (e.g. "acetylsalicylic acid"), InChIKey (e.g. "BSYNRYMUTXBXSQ-UHFFFAOYSA-N"), molecular formula (e.g. "C9H8O4"), ChEMBL ID (e.g. "CHEMBL25"), PubChem CID (e.g. "pubchem.cid:2244"), DrugBank ID (e.g. "DB00945"), or field-scoped queries (e.g. "chebi.name:ibuprofen", "drugbank.groups:approved", "chembl.max_phase:4"). Supports Lucene boolean operators AND/OR/NOT. | |
| size | No | Maximum number of chemical results to return (1–50, default 10). | |
| fields | No | Comma-separated annotation fields to return per hit. Default: chebi.name, chebi.definition, chebi.formula, chebi.mass, chembl.pref_name, chembl.max_phase, chembl.molecule_properties, pubchem.cid, pubchem.molecular_formula, pubchem.molecular_weight, pubchem.xlogp, drugbank.name, drugbank.groups, pharmgkb.name. Use "all" for every source. | |
| scopes | No | Comma-separated fields to search within. Default: searches all text fields. Examples: "chebi.name,chembl.pref_name,drugbank.name" to search only common names, or "chebi.inchikey" to search by exact InChIKey structure. |
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. |