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pharmakon-mcp

MCP servers and a Python library for looking up drug and molecule data — identifiers, measured and computed properties, and drug information — across public databases, with the source recorded on every value.

Status: early development. Nothing is released yet. See the roadmap below.

What it covers

  • Small molecules, peptides (including modified and cyclic peptides via HELM), and conjugates such as antibody–drug conjugates (ADCs). Oligonucleotides are planned.

  • Identifiers: InChIKey, SMILES, InChI, CAS, PubChem CID, ChEMBL ID, UNII, Wikidata QID, sequence, HELM.

Related MCP server: PubChem MCP Server

Roadmap

Package

Status

What it does

pharmakon-core

In progress

Shared identifiers, data models, units, HTTP client

pharmakon-pubchem

Planned

Identifier resolution; computed and experimental properties

pharmakon-chembl

Planned

Drugs, mechanisms, targets, bioactivity, ADC components

pharmakon-wikidata

Planned

Identifier cross-references; Wikipedia pharmacokinetics

Also planned: configurable unit and source-preference profiles, custom data sources (CSV, Excel, SQLite), a REST API, and a combined server.

Design

Architecture decisions are recorded in docs/decisions, and requirements in docs/requirements.

Data sources and licenses

pharmakon's code is Apache-2.0. Data it retrieves remains under each source's terms:

  • PubChem (NCBI) — public domain data; see the PubChem usage policy.

  • ChEMBL (EMBL-EBI) — CC BY-SA 3.0; attribution required.

  • Wikidata — CC0. Wikipedia text — CC BY-SA 4.0.

Please respect each service's rate limits; pharmakon enforces them by default.

Disclaimer

For research use only. Not for clinical or diagnostic decisions. Values come from third-party sources and may be incomplete or wrong; always check the cited source.

License

Apache-2.0. Copyright 2026 Andrew Stuart.

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