Drugcentral Tools#

Configuration File: drugcentral_tools.json Tool Type: Local Tools Count: 3

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

Available Tools#

DrugCentral_get_drug (Type: DrugCentralTool)#

Get detailed DrugCentral information for a specific drug by its InChIKey or ChEMBL ID. Returns co…

DrugCentral_get_drug tool specification

Tool Information:

  • Name: DrugCentral_get_drug

  • Type: DrugCentralTool

  • Description: Get detailed DrugCentral information for a specific drug by its InChIKey or ChEMBL ID. Returns comprehensive drug data including: regulatory approvals (FDA/EMA/PMDA with dates), therapeutic indications (with SNOMED/UMLS codes), contraindications, off-label uses, chemical structure (SMILES, CAS RN), and cross-references to DrugBank, ChEMBL, PubChem, KEGG, RxNorm, etc. DrugCentral data accessed via MyChem.info. Example: ‘XZWYZXLIPXDOLR-UHFFFAOYSA-N’ returns full metformin data.

Parameters:

  • chem_id (string) (required) Drug identifier. InChIKey recommended (e.g., ‘XZWYZXLIPXDOLR-UHFFFAOYSA-N’ for metformin, ‘BSYNRYMUTXBXSQ-UHFFFAOYSA-N’ for aspirin). Also accepts ChEMBL ID (e.g., ‘CHEMBL1431’).

Example Usage:

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

DrugCentral_get_targets (Type: DrugCentralTool)#

Get drug target information from DrugCentral for a specific drug by its InChIKey or ChEMBL ID. Re…

DrugCentral_get_targets tool specification

Tool Information:

  • Name: DrugCentral_get_targets

  • Type: DrugCentralTool

  • Description: Get drug target information from DrugCentral for a specific drug by its InChIKey or ChEMBL ID. Returns bioactivity data including target protein names, target classes (Enzyme, Kinase, Transporter, GPCR, etc.), organisms, action types (INHIBITOR, AGONIST, etc.), potency measurements, mechanism of action (MoA) flags, UniProt protein IDs, and gene symbols. IMPORTANT - POTENCY UNITS: DrugCentral reports potency on the p-scale, i.e. ‘activity_value’ is the -log10 of the molar potency (the pChEMBL convention), NOT a concentration in nM or uM. So an entry reading activity_type ‘IC50’ with activity_value ‘4.01’ means pIC50 = 4.01, i.e. an IC50 of 10^-4.01 M = ~96800 nM (96.8 uM) - weak, not sub-micromolar. Higher activity_value means more potent. For convenience each target also carries ‘activity_type_reported’ (the p-scale name, e.g. ‘pIC50’), ‘activity_value_scale’ (a plain-language note on the scale), and ‘activity_value_nM’ (the same potency converted to nanomolar, or null when upstream reports no numeric value). DrugCentral data accessed via MyChem.info. Example: ‘XZWYZXLIPXDOLR-UHFFFAOYSA-N’ returns metformin targets (AMPK, Complex I, OCT1/2/3, DPP4).

Parameters:

  • chem_id (string) (required) Drug identifier. InChIKey recommended (e.g., ‘XZWYZXLIPXDOLR-UHFFFAOYSA-N’ for metformin, ‘KTUFNOKKBVMGRW-UHFFFAOYSA-N’ for imatinib). Also accepts ChEMBL ID (e.g., ‘CHEMBL1431’).

Example Usage:

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

DrugCentral_search (Type: DrugCentralTool)#

Search for drugs in DrugCentral by name, returning DrugCentral-curated data including drug names …

DrugCentral_search tool specification

Tool Information:

  • Name: DrugCentral_search

  • Type: DrugCentralTool

  • Description: Search for drugs in DrugCentral by name, returning DrugCentral-curated data including drug names (INN), CAS registry numbers, SMILES structures, regulatory approval status (FDA/EMA/PMDA), and cross-references to DrugBank, ChEMBL, PubChem, and other databases. DrugCentral is an open-access drug information resource from the University of New Mexico. Data accessed via MyChem.info aggregation. Example: searching ‘metformin’ returns its approval history, structure, and database cross-references.

Parameters:

  • query (string) (required) Drug name or identifier to search for. Examples: ‘metformin’, ‘aspirin’, ‘imatinib’, ‘pembrolizumab’.

  • size (integer) (optional) Maximum number of results to return (default: 10, max: 50).

Example Usage:

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