Compound Drug Profile Tools#

Configuration File: compound_drug_profile_tools.json Tool Type: Local Tools Count: 1

This page contains all tools defined in the compound_drug_profile_tools.json configuration file.

Available Tools#

gather_drug_profile (Type: CompoundDrugProfileTool)#

Gather a drug’s identity, structure, mechanism of action, approved indications and safety from Ch…

gather_drug_profile tool specification

Tool Information:

  • Name: gather_drug_profile

  • Type: CompoundDrugProfileTool

  • Description: Gather a drug’s identity, structure, mechanism of action, approved indications and safety from ChEMBL, PubChem, OpenTargets and RxNorm in a single call. Accepts a drug name (‘aspirin’, ‘Tylenol’) or a ChEMBL id (‘CHEMBL25’), resolves it once to a ChEMBL id, PubChem CID and RxCUI, then returns the sections together. Cross-checks the two structure sources on InChIKey to catch a name that resolved to two different molecules, and ChEMBL’s boxed-warning flag against OpenTargets’ warning rows. Use when you want a rounded picture of a drug; use ChEMBL_get_molecule, OpenTargets_get_drug_indications_by_chemblId or FDA_get_warnings_by_drug_name directly when you already have the identifier and want one authority.

Parameters:

  • drug (string) (required) Drug name or ChEMBL id, e.g. ‘aspirin’, ‘metformin’, ‘Tylenol’, ‘CHEMBL25’.

  • sections ([‘array’, ‘null’]) (optional) Limit which sections are assembled. Omit for all five; an empty list is an error. Only the upstream calls a requested section needs are made: ‘mechanism’ alone costs four calls against nine for the full profile. ‘indications’ costs two, one for the approved uses and one for the count of everything investigated. The three identifier lookups always run, because query.chembl_id, query.pubchem_cid and query.rxcui are always returned.

Example Usage:

query = {
    "name": "gather_drug_profile",
    "arguments": {
        "drug": "example_value"
    }
}
result = tu.run(query)