ChEMBL MCP Server

A comprehensive Model Context Protocol server for accessing ChEMBL chemical database with 27 specialized tools for drug discovery, chemical

Local serverstdioTypeScript

What is the ChEMBL MCP Server?

Chembl mcp server lets Claude, Cursor and other MCP clients work with ChEMBL directly. A comprehensive Model Context Protocol server for accessing ChEMBL chemical database with 27 specialized tools for drug discovery, chemical informatics, and bioactivity analysis.

What ChEMBL does

A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database. This server offers 22 specialized tools enabling AI assistants and MCP clients to perform sophisticated drug discovery research, chemical informatics analysis, and bioactivity investigations directly through ChEMBL's REST API.

This comprehensive ChEMBL MCP Server is developed by Augmented Nature, a leading innovator in AI-powered bioinformatics and computational chemistry solutions. Augmented Nature specializes in creating advanced tools that bridge the gap between artificial intelligence and chemical research, enabling researchers to unlock deeper insights from chemical and biological data.

Requirements

  • Node.js (v16 or higher) - npm or yarn

Practical notes

  • Maintained by Augmented-Nature, written in TypeScript.

More MCP options

Compare MCP servers by category, or browse hosted MCP servers if you prefer an endpoint over a local process.

Maintainer setup documentation.

Recorded tools

Check the linked publisher documentation and your connected client's tool list. Names and availability can vary with the server version and account permissions.

ToolWhat it does
queryrequired): Target name or search query
limitoptional): Number of results to return (1-1000, default: 25)
offsetoptional): Number of results to skip (default: 0)
chembl_idrequired): ChEMBL compound ID (e.g., CHEMBL25)
target_typeoptional): Target type filter (e.g., SINGLE PROTEIN, PROTEIN COMPLEX)
organismoptional): Organism filter
target_chembl_idoptional): ChEMBL target ID filter
assay_chembl_idoptional): ChEMBL assay ID filter
molecule_chembl_idoptional): ChEMBL compound ID filter
activity_typeoptional): Activity type (e.g., IC50, Ki, EC50)
chembl_idsrequired): Array of ChEMBL compound IDs (1-50)

How to install the ChEMBL MCP Server

{
  "mcpServers": {
    "chembl": {
      "command": "docker",
      "args": [
        "run",
        "-i",
        "chembl-mcp-server"
      ],
      "env": {}
    }
  }
}

From the project documentation. Replace placeholders and example paths before connecting.

Configuration

  • Node.js (v16 or higher) - npm or yarn

Example prompts to try

  • “Use ChEMBL to InChI.”
  • “Use ChEMBL to Dose.”
  • “Use ChEMBL to Drug.”

Frequently asked questions

A comprehensive Model Context Protocol server for accessing ChEMBL chemical database with 27 specialized tools for drug discovery, chemical informatics, and Confirm the tools offered by your installed version in the connected client. Tool availability and permissions depend on the server and account configuration.