MCP server

Chembl

io.github.cyanheads/chembl-mcp-server

Checked 26 Oct 2026, 08:29 UTC · Connected to it and listed its tools

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

Source

At a glance

Type

MCP server

Publisher

Not verified

Status

Working at last check

Tools

7

Token cost

About 4,766 tokens per request

Sets up in

Claude Code, Claude Desktop, Codex, Gemini CLI, Cursor, VS Code, Antigravity, ChatGPT, OpenAI API, Grok

Last checked

26 Oct 2026, 08:29 UTC

Connect it to your agent

Add to CursorAdd to VS CodeVS Code Insiders

Opens the app, which shows the server and asks you to confirm. For other apps, copy the setup below.

Claude Code

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

Claude Desktop

Settings → Connectors → Add custom connector, and paste the URL.

Codex (config.toml)

[mcp_servers.chembl-mcp-server]
url = "https://chembl.caseyjhand.com/mcp"

Gemini CLI

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

Cursor

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

VS Code

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

Antigravity

agy mcp add chembl-mcp-server https://chembl.caseyjhand.com/mcp

ChatGPT

Settings → Apps & Connectors → Advanced settings: turn on Developer mode, then Create a connector and paste the URL. Which plans can do this varies.

OpenAI API (Responses tools)

{"type":"mcp","server_label":"chembl-mcp-server","server_url":"https://chembl.caseyjhand.com/mcp","require_approval":"always"}

Grok (xAI API tools)

{"type":"mcp","server_label":"chembl-mcp-server","server_url":"https://chembl.caseyjhand.com/mcp"}

Tools

• chembl_dataframe_describe ~193 tokens
  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_TYPE=none.
• chembl_dataframe_query ~461 tokens
  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 potency_ranked view, bi
• chembl_get_assay ~225 tokens
  Assay 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_get_bioactivities ~1996 tokens
  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 target_chembl_id (from
• chembl_get_drug_info ~560 tokens
  Pharmacology 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) — a parent or any of its
• chembl_search_molecules ~758 tokens
  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, and structure is req
• chembl_search_targets ~573 tokens
  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); filter further by organism and target_type. Returns each ta

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