ChEMBL MCP Server
Server Configuration
Describes the environment variables required to run the server.
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||
Capabilities
Server capabilities have not been inspected yet.
Tools
Functions exposed to the LLM to take actions
| Name | Description |
|---|---|
| search_compoundsC | Search ChEMBL database for compounds by name, synonym, or identifier |
| get_compound_infoC | Get detailed information for a specific compound by ChEMBL ID |
| search_by_inchiC | Search for compounds by InChI key or InChI string |
| get_compound_structureB | Retrieve chemical structure information in various formats |
| search_similar_compoundsB | Find chemically similar compounds using Tanimoto similarity |
| search_targetsC | Search for biological targets by name or type |
| get_target_infoC | Get detailed information for a specific target by ChEMBL target ID |
| get_target_compoundsC | Get compounds tested against a specific target |
| search_by_uniprotC | Find ChEMBL targets by UniProt accession |
| get_target_pathwaysC | Get biological pathways associated with a target |
| search_activitiesC | Search bioactivity measurements and assay results |
| get_assay_infoC | Get detailed information for a specific assay by ChEMBL assay ID |
| search_by_activity_typeB | Find bioactivity data by specific activity type and value range |
| get_dose_responseC | Get dose-response data and activity profiles for compounds |
| compare_activitiesC | Compare bioactivity data across multiple compounds or targets |
| search_drugsC | Search for approved drugs and clinical candidates |
| get_drug_infoB | Get drug development status and clinical trial information |
| search_drug_indicationsC | Search for therapeutic indications and disease areas |
| get_mechanism_of_actionB | Get mechanism of action and target interaction data |
| analyze_admet_propertiesC | Analyze ADMET properties (Absorption, Distribution, Metabolism, Excretion, Toxicity) |
| calculate_descriptorsC | Calculate molecular descriptors and physicochemical properties |
| predict_solubilityC | Predict aqueous solubility and permeability properties |
| assess_drug_likenessB | Assess drug-likeness using Lipinski Rule of Five and other metrics |
| substructure_searchC | Find compounds containing specific substructures |
| batch_compound_lookupC | Process multiple ChEMBL IDs efficiently |
| get_external_referencesB | Get links to external databases (PubChem, DrugBank, PDB, etc.) |
| advanced_searchC | Complex queries with multiple chemical and biological filters |
Prompts
Interactive templates invoked by user choice
| Name | Description |
|---|---|
No prompts | |
Resources
Contextual data attached and managed by the client
| Name | Description |
|---|---|
No resources | |
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