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ChEMBL MCP Server

@Augmented-Nature

代码仓库

基本信息

分类

其他

许可证

NOASSERTION

传输方式

stdio

作者

Augmented-Nature

关于 ChEMBL MCP Server

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

ChEMBL MCP Server 配置

使用下面的配置,将此服务器添加到你的 MCP 客户端。

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

ChEMBL MCP Server 工具

工具列表暂未提供

当前收录暂时没有可展示的工具列表，不代表服务没有工具。请查阅项目文档了解支持的能力。

工具是从 README 中自动提取的。维护者可以在 ## Tools 标题下列出工具,即可填充这部分内容。

概览

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

常见问题

1

What runtime and dependencies are required?

Node.js v16 or higher, npm or yarn, and the packages @modelcontextprotocol/sdk, axios, and typescript.

2

Does the server require an API key or authentication?

No. The server uses the public ChEMBL REST API with no authentication. All requests include a User-Agent header `ChEMBL-MCP-Server/1.0.0`.

3

Where does the data come from?

All data is retrieved on the fly from the ChEMBL REST API at `https://www.ebi.ac.uk/chembl/api/data`. No local database is stored.

4

What transport does the server use?

The server communicates via stdio, as defined by the Model Context Protocol. It is designed to be configured as an MCP client tool.

5

Are there any usage limits or timeouts?

API requests have a timeout of 30 seconds. Pagination parameters `limit` (1–1000, default 25) and `offset` are available on search tools.

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