ChEMBL MCP Server

Name: ChEMBL MCP Server
Author: Augmented-Nature

@Augmented-Nature

リポジトリ

ChEMBL MCP Server について

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

#cheminformatics #drug-discovery #drug-design #chembl #model-context-protocol #mcp-server

基本情報

カテゴリ

その他

ライセンス

NOASSERTION

ランタイム

node

トランスポート

stdio

公開者

Augmented-Nature

設定

以下の設定を使って、このサーバーを MCP 対応クライアントに追加してください。

{
  "mcpServers": {
    "Augmented-Nature-ChEMBL-MCP-Server": {
      "command": "docker",
      "args": [
        "build",
        "-t",
        "chembl-mcp-server",
        "."
      ]
    }
  }
}

ツール

ツールは検出されませんでした

ツールは README から自動的に抽出されます。メンテナーは ## Tools という見出しの下に記載することで、このタブに反映できます。

概要

What is ChEMBL MCP Server?

An unofficial Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database. It offers 22 specialized tools enabling AI assistants and MCP clients to perform drug discovery research, chemical informatics analysis, and bioactivity investigations through ChEMBL's REST API. Developed by Augmented Nature.

How to use ChEMBL MCP Server?

Install Node.js v16+, clone the repository, run npm install and npm run build, then start with npm start. Add the server to your MCP client configuration (e.g., Claude Desktop) using the path to the compiled build/index.js. Alternatively, run the Docker image with docker run -i chembl-mcp-server.

Key features of ChEMBL MCP Server

22 specialized tools for chemical and drug discovery searches
Compound search, similarity, and substructure retrieval
Target analysis and UniProt integration
Bioactivity, assay, and dose-response data access
Drug development status and clinical trial information
ADMET analysis, molecular descriptors, and drug-likeness assessment
Batch processing and external database cross-references

Use cases of ChEMBL MCP Server

Search for compounds by name or identifier and retrieve detailed chemical properties
Find biological targets and their associated pathways and mechanisms
Analyze bioactivity measurements like IC50 or Ki for a target or compound
Evaluate ADMET properties and drug-likeness for candidate compounds
Batch-lookup multiple ChEMBL IDs for cross-database comparisons