Chembl Mcp Server

Connect Remote server

claude mcp add --transport http chembl-mcp-server https://chembl.caseyjhand.com/mcp

{
  "mcpServers": {
    "chembl-mcp-server": {
      "url": "https://chembl.caseyjhand.com/mcp"
    }
  }
}

{
  "servers": {
    "chembl-mcp-server": {
      "type": "http",
      "url": "https://chembl.caseyjhand.com/mcp"
    }
  }
}

Settings > Connectors > Add custom connector
URL: https://chembl.caseyjhand.com/mcp

Tools 8 found in our last check

• chembl_search_molecules

  Discovery 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,…

• chembl_get_bioactivities

  The 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 t…

• chembl_search_targets

  Resolve 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, or a ChEMBL target ID such as CHEMBL203…

• chembl_get_drug_info

  Pharmacology for a drug (molecule): mechanism(s) of action, the molecular target(s) it acts on, action type (inhibitor / agonist / …), max clinical phase, first-approval year, whether it has been withdrawn from a market or carries a boxed warning with ChEMBL's withdrawal and box…

• chembl_get_assay

  Assay provenance behind bioactivity rows, for one assay or a shortlist in one call: description, type (binding / functional / ADMET / toxicity), BioAssay Ontology format (single protein, cell-based, organism-based, …), the target it measures, organism, cell type, tissue, strain,…

• chembl_get_documents

  The publication, patent, or deposited dataset behind ChEMBL document IDs, for one document or a shortlist in one call: type, title, authors, journal, year, volume, issue, pages, PubMed ID, DOI, and patent number. Supply document_chembl_ids from the document_chembl_id of chembl_g…

• chembl_dataframe_query

  Run a read-only SQL SELECT over the bioactivity rows chembl_get_bioactivities staged on 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 po…

• chembl_dataframe_describe

  List 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. Unavailable when the server sets CANVAS_PROVIDER…

Details

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