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Server Configuration

Describes the environment variables required to run the server.

NameRequiredDescriptionDefault
LOGS_DIRNoDirectory for log file storage (if LOG_OUTPUT_MODE=file).logs/
MCP_AUTH_MODENoAuthentication mode for HTTP: jwt or oauth.jwt
MCP_HTTP_HOSTNoHost address for the HTTP server (if MCP_TRANSPORT_TYPE=http).127.0.0.1
MCP_HTTP_PORTNoPort for the HTTP server (if MCP_TRANSPORT_TYPE=http).3010
MCP_LOG_LEVELNoLogging level (debug, info, notice, warning, error, crit, alert, emerg).info
LOG_OUTPUT_MODENoLogging output mode: file or stdout.file
MCP_TRANSPORT_TYPENoTransport mechanism: stdio or http.stdio
MCP_ALLOWED_ORIGINSNoComma-separated list of allowed origins for CORS (if MCP_TRANSPORT_TYPE=http).
MCP_AUTH_SECRET_KEYNoRequired for jwt auth. Minimum 32-character secret key for JWT authentication.

Capabilities

Features and capabilities supported by this server

CapabilityDetails
tasks
{
  "list": {},
  "cancel": {},
  "requests": {
    "tools": {
      "call": {}
    }
  }
}
tools
{
  "listChanged": true
}
logging
{}
prompts
{
  "listChanged": true
}
resources
{
  "listChanged": true
}

Tools

Functions exposed to the LLM to take actions

NameDescription
pubchem_search_compoundsA

Search PubChem for chemical compounds. Five search modes:

  • identifier: Resolve compound names, SMILES, or InChIKeys to CIDs (batch up to 25)

  • formula: Find compounds by molecular formula (Hill notation, e.g. "C6H12O6")

  • substructure: Find compounds containing a substructure (SMILES or CID)

  • superstructure: Find compounds that are substructures of the query

  • similarity: Find structurally similar compounds by 2D Tanimoto similarity

Optionally hydrate results with properties to avoid a follow-up details call.

pubchem_get_compound_detailsA

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_imageA

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

pubchem_get_compound_xrefsA

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_safetyA

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

pubchem_get_bioactivityA

Get a compound's bioactivity profile: which assays tested it, activity outcomes (Active/Inactive/Inconclusive), target information (gene symbols, protein names), and quantitative values (IC50, EC50, Ki, etc.). Filter by outcome to focus on active results.

pubchem_search_assaysA

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_summaryA

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.

Prompts

Interactive templates invoked by user choice

NameDescription

No prompts

Resources

Contextual data attached and managed by the client

NameDescription

No resources

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