ChEMBL Query Skill

SkillDatabases & data

Query the ChEMBL database for drug molecules, bioactivity data, and drug targets via the ChEMBL REST API. Use whenever the user asks about drug properties (molecular weight, logP, Lipinski violations), drug-target interactions, bioactivity assay results, or wants to look up any entity by ChEMBL ID or drug/gene name in ChEMBL. Supports single entity or batch queries. No API key required.

Instructions available. Your AI can read the instructions. Execution depends on the setup they require.

Account requirements not reviewed. Check the skill instructions before use; ahel provides instructions and does not run this skill.

Add ahel to your AI once: Claude, ChatGPT, Cursor, Claude Code or Codex. Then ask it to use this.

Then ask your AI: use the ChEMBL Query Skill skill

What this skill tells your AI

The instructions your AI receives, as published by qsong-github/drugclaw in skills/dti/chembl/SKILL.md and read by ahel’s review.

Query ChEMBL bioactivity database for molecules, targets, and activity data. Auto-detects input type by prefix:

Input Pattern	Detected As	Action
`CHEMBL25`	ChEMBL ID (molecule)	direct fetch by ID
`aspirin`	drug name	substring search on `pref_name`
`CHEMBL203`	ChEMBL ID (target)	direct fetch by ID
`EGFR`	gene/protein name	substring search on `target_synonym`

API

Function	Input	Returns
`query_molecules(entities, limit)`	`str` or `list[str]` — ChEMBL IDs or drug names	`dict[str, list[dict]]`
`query_targets(entities, limit)`	`str` or `list[str]` — ChEMBL IDs or gene names	`dict[str, list[dict]]`
`query_bioactivities(chembl_ids, limit)`	`str` or `list[str]` — molecule ChEMBL IDs	`dict[str, list[dict]]`
`summarize_molecule(mol)`	single molecule dict	compact one-line string
`summarize_activity(act)`	single activity dict	compact one-line string
`summarize_target(tgt)`	single target dict	compact one-line string

Usage

See if __name__ == "__main__" block in chembl_query.py for runnable examples covering:

Single molecule by ID — query_molecules("CHEMBL25")
Batch molecule search by name — query_molecules(["ibuprofen", "metformin"], limit=3)
Bioactivities for multiple molecules — query_bioactivities(["CHEMBL25", "CHEMBL1642"], limit=3)
Single target by gene name — query_targets("EGFR", limit=3)
Batch target lookup by ID — query_targets(["CHEMBL203", "CHEMBL204"])

Key Fields

Molecule: molecule_chembl_id, pref_name, molecule_properties.full_mwt, molecule_properties.alogp, molecule_properties.num_ro5_violations

Activity: molecule_chembl_id, target_chembl_id, target_pref_name, standard_type, standard_value, standard_units

Target: target_chembl_id, pref_name, target_type, organism

Data Source

API: https://www.ebi.ac.uk/chembl/api/data (no key required)
Paper: https://doi.org/10.1093/nar/gkad1004

Signals

GitHub stars: 116
Forks: 3
Last commit: Aug 2026

ahel review

K1binfo
installs-packages (in chembl_skill.py)
K1binfo
installs-packages (in README.md)

Automated review, not a security audit. Ruleset v1+k2.

Advanced

Item type: skill
Key: chembl-query
Source: github.com/qsong-github/drugclaw

github.com/qsong-github/drugclaw