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Search & Web Remote 10 tools Ready surface Auth required

Search PubChem compounds, properties, safety data, bioactivity, and cross-references.

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How to connect

Same URL, five paste targets. Ready surface · Auth required. Not a safe-to-install badge. Handshake this URL

Paste into Settings → MCP or .cursor/mcp.json.

{ "mcpServers": { "cyanheads-pubchem-mcp-server": { "url": "https://pubchem-mcp-server--cyanheads.run.tools" } } }

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Listing quality

Observable facts from our catalog and daily probe — not a safe-to-install badge.

Surface
Ready surface
Live handshake
Auth required MCP handshake: auth_required — not a SAFE badgeMCP handshakeMCP handshakeauth_requiredauth_required
Auth gate
Auth gate
Tools source
tools/list (live)

Observable catalog + probe facts — not a safe-to-install badge. How we verify.

Verification summary

Stored signals only. Not a safety score.

Verification grade
A (85)
Last verified
Status
Auth required
Response time
0 ms
Auth
Auth gate
Transport
http, HTTPS
Tools indexed
10
30-day uptime
100% of 7 samples over 7 days

Probe history

  • · auth_required · 0 ms
  • · auth_required · 0 ms
  • · auth_required · 0 ms
  • · auth_required · 0 ms
  • · auth_required · 0 ms

Tools

(10)
  • pubchem_search_compounds

    Search PubChem for chemical compounds by identifier (name, SMILES, or InChIKey, batched up to 25), molecular formula in Hill notation, substructure or superstructure containment, or 2D Tanimoto similarity. Optionally hydrate results with properties to avoid a follow-up pubchem_get_compound_details call.

  • pubchem_get_compound_details

    Get detailed compound information by CID. Returns physicochemical properties (molecular weight, SMILES, InChIKey, XLogP, TPSA, etc.), optionally with a textual description (pharmacology, mechanism, therapeutic use), all known synonyms, drug-likeness assessment (Lipinski/Veber rules), and/or pharmacological classification (FDA classes, MeSH classes, ATC codes). Efficiently batches up to 100 CIDs.

  • pubchem_get_compound_image

    Fetch a 2D structure diagram (PNG image) for a compound by CID.

  • pubchem_get_compound_3d_structure

    Get a compound's default 3D conformer — atomic coordinates and bonds — for one CID. format="json" (default) returns parsed atoms and bonds the model can reason over directly; format="sdf" returns the raw V2000 SDF text for passthrough to docking, rendering, or conformer tools. Optionally lists alternate conformer IDs. Not every compound has computed 3D coordinates (large molecules, mixtures, and some salts do not).

  • pubchem_get_compound_xrefs

    Get external database cross-references for a compound: PubMed citations, patent IDs, gene/protein associations, registry numbers, and taxonomy IDs. Results are capped per type with total counts reported.

  • pubchem_get_compound_safety

    Get GHS (Globally Harmonized System) hazard classification and safety data for one or more compounds by CID. Returns signal word, pictograms, hazard statements (H-codes), and precautionary statements (P-codes) per compound. Data sourced from PubChem depositors — source attribution included.

  • pubchem_get_bioactivity

    Get a compound's bioactivity profile: which assays tested it, activity outcomes (Active/Inactive/Inconclusive), target identifiers (NCBI Gene ID, UniProt/GenBank accession), and quantitative values (IC50, EC50, Ki, etc.). Filter by outcome and/or a specific molecular target (NCBI Gene ID or protein accession) to focus the profile — e.g. "is this compound active against target T?".

  • pubchem_get_compound_interactions

    Get a compound's interaction data: drug-drug interactions (DrugBank), drug-food interactions, and chemical-target interactions (binding/activity from BindingDB, ChEMBL, and others). Each entry carries its originating source. Richest for approved drugs; many compounds have no deposited interaction records.

  • pubchem_search_assays

    Find PubChem bioassays associated with a biological target. Search by gene symbol (e.g. "EGFR"), protein name, NCBI Gene ID, or UniProt accession. Returns assay IDs (AIDs) which can be explored further with pubchem_get_summary.

  • pubchem_get_summary

    Get descriptive summaries for PubChem entities by ID. Supports assays (AID), genes (Gene ID), proteins (UniProt accession), and taxonomy (Tax ID). Up to 10 per call.

Tool source: tools/list (live) · last probed 2026-11-05

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