Augmented-Nature/ChEMBL-MCP-Server

A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.

89 ★12 forksJavaScriptUpdated 8mo ago

What you need to know

Unofficial MCP server providing access to the ChEMBL chemical database — 22+ tools for drug discovery research, chemical informatics, and bioactivity investigations through ChEMBL's REST API.

Install

npm install && npm run build
Docker: docker run -i chembl-mcp-server

Usage

•tools: search_compounds, get_compound_info, search_targets, search_activities, search_drugs, analyze_admet_properties, substructure_search, batch_compound_lookup

Key features

✓compound/target/activity/drug search
✓InChI, SMILES, structure retrieval & similarity search
✓dose-response and activity comparison
✓ADMET analysis, molecular descriptors, solubility prediction, drug-likeness
✓substructure search + advanced multi-filter queries
✓batch processing and external cross-references
✓resource templates chembl://compound/{id}

Best for

Drug discovery and chemical informatics research from an AI assistant.

Caveats

⚠unofficial, community-built server
⚠no API key needed (uses public ChEMBL API)
⚠Node.js 16+

Platforms: macOS · Linux · WindowsClients: Claude Desktop

Reviewed 2026-08-11

Topics

chemblcheminformaticsdrug-designdrug-discoverymcp-servermodel-context-protocol

Stars: 89★
Forks: 12
Language: JavaScript
License: NOASSERTION
Created: 2025-05-27
Last push: 2025-12-21