io.github.cyanheads/chembl-mcp-server

io.github.cyanheads/chembl-mcp-server · v0.3.3 · health-and-science

io.github.cyanheads/chembl-mcp-server is healthy: it completed an MCP handshake in 3421 ms and exposes 7 tools.

Link compounds to protein targets, rank bioactivity, and look up drug mechanisms and indications.

Endpoint: https://chembl.caseyjhand.com/mcp (streamable-http)

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Facts

Users (last 30 days)0
HandshakeHealthy
Auth neededNone
Tool count7
Latency3421 ms
Last checked (UTC)2026-10-15T03:20:52.267Z

Health history

Checked (UTC)StatusLatencyError
2026-10-15T03:20:52.267ZHealthy3421

Tools (7)

chembl_search_moleculesDiscovery entry point for compounds. Find by name / ChEMBL ID / InChIKey with the default search_type=name (supply query), or run a structure search with search_type exact | similarity | substructure (supply structure as a SMILES). At least one of query or structure is required, and structure is req
chembl_get_bioactivitiesThe flagship compound↔target bioactivity bridge: measurements for a molecule (target deconvolution / selectivity), a target (lead finding), or both together (how potently one compound hits one target). Supply at least one of molecule_chembl_id (from chembl_search_molecules) or target_chembl_id (from
chembl_search_targetsResolve a protein/gene/UniProt accession to the ChEMBL target ID that chembl_get_bioactivities needs for the target→leads workflow. Supply at least one of accession (UniProt, e.g. P00533), gene_symbol (e.g. EGFR), or query (free-text name); filter further by organism and target_type. Returns each ta
chembl_get_drug_infoPharmacology for a drug (molecule): mechanism(s) of action, the molecular target(s) it acts on, action type (inhibitor / agonist / …), first-approval year, and clinical indications with the max phase reached for each. Supply molecule_chembl_id (from chembl_search_molecules). Distinct from the openfd
chembl_get_assayAssay provenance behind a bioactivity row: description, type (binding / functional / ADMET / toxicity), the target it measures, organism, and ChEMBL's 1–9 confidence score (9 = direct assay on the protein target, lower = homologous or indirect). Supply assay_chembl_id from a chembl_get_bioactivities
chembl_dataframe_queryRun a read-only SQL SELECT over the bioactivity rows chembl_get_bioactivities spilled to a canvas — rank, group, dedupe, and aggregate across the FULL set, not the inline preview. Reference each staged table by the name chembl_get_bioactivities returned — bioactivities for its potency_ranked view, b
chembl_dataframe_describeList the tables and columns staged on a canvas by chembl_get_bioactivities — inspect before calling chembl_dataframe_query to write correct SQL. Returns each table with its row count, kind (table | view), and column names + types. Requires CANVAS_PROVIDER_TYPE=duckdb.