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💊 MyChem.info Drug Annotation Scraper

🚀 Turn any drug name into a clean annotation record in seconds. Resolve imatinib, aspirin, or a whole therapeutic area into DrugBank, ChEMBL, PubChem, UNII, ATC, formula, weight, indications, and mechanism, all from one keyless source.

🕒 Last updated: 2026-06-05 · 📊 23 fields per record · keyless public API · global drug and compound coverage

MyChem.info is the BioThings drug and chemical knowledge hub that aggregates DrugBank, ChEMBL, PubChem, DrugCentral, UNII, and more behind a single InChIKey-keyed API. This Actor queries MyChem.info, resolves each drug name or InChIKey to its annotation document, and returns a curated subset of the most useful fields instead of the full nested blob.

Coverage spans small molecules, biologics, and investigational compounds that carry a DrugBank annotation. You can look up drugs one by one, paste a batch of names or InChIKeys, or run a free-text query like a therapeutic area to pull back the best-matching annotated compounds.

📋 What the MyChem.info Drug Annotation Scraper does

• Resolves drug names (for example imatinib, metformin) or InChIKeys to their MyChem.info annotation.
• Runs a free-text search query and returns the best-matching drug-annotated compounds.
• Maps a curated subset of fields from DrugBank, ChEMBL, PubChem, DrugCentral, and UNII.
• Returns standardized identifiers, ATC codes, chemical properties, indications, and mechanism classes.
• Combines a search query and an explicit drug list in a single run when you want both.

🎬 Full Demo (🚧 Coming soon)

⚙️ Input

Provide a searchQuery, a drugList, or both. At least one is required.

{
"drugList":["imatinib","dasatinib","nilotinib","aspirin","metformin"],
"maxItems":10
}

{
"searchQuery":"leukemia",
"maxItems":25
}

⚠️ Good to Know: Only compounds carrying a DrugBank annotation are returned, so very obscure or purely chemical entries may not resolve. A few fields such as ATC codes, PubChem CID, or approval year can be absent for a given drug when the upstream source has no value, and those come back as null rather than being faked.

📊 Output

Each record is one drug or compound annotation.

Real sample records from a live run:

{
"inchikey":"KTUFNOKKBVMGRW-UHFFFAOYSA-N",
"drugName":"Imatinib",
"drugbankId":"DB00619",
"chemblId":"CHEMBL941",
"pubchemCid":"5291",
"unii":"BKJ8M8G5HI",
"casNumber":"152459-95-5",
"atcCodes":["L01EA01"],
"moleculeType":"Small molecule",
"maxPhase":4,
"firstApprovalYear":2001,
"drugGroups":["approved","oral"],
"molecularFormula":"C29H31N7O",
"molecularWeight":493.6,
"primaryIndication":"Chronic Myelocytic Leukemia Accelerated Phase",
"mechanism":["Kinase Inhibitor","tyrosine kinase inhibitors","Protein Kinase Inhibitors"],
"url":"https://mychem.info/v1/chem/KTUFNOKKBVMGRW-UHFFFAOYSA-N",
"error":null
}

{
"inchikey":"ZBNZXTGUTAYRHI-UHFFFAOYSA-N",
"drugName":"Dasatinib",
"drugbankId":"DB01254",
"chemblId":"CHEMBL1421",
"pubchemCid":"3062316",
"unii":"X78UG0A0RN",
"casNumber":"302962-49-8",
"atcCodes":["L01EA02"],
"moleculeType":"Small molecule",
"maxPhase":4,
"firstApprovalYear":2006,
"drugGroups":["approved","oral"],
"molecularFormula":"C22H26ClN7O2S",
"molecularWeight":488,
"primaryIndication":"Philadelphia Chromosome Positive Chronic Myelocytic Leukemia",
"mechanism":["tyrosine kinase inhibitors","Protein Kinase Inhibitors"],
"url":"https://mychem.info/v1/chem/ZBNZXTGUTAYRHI-UHFFFAOYSA-N",
"error":null
}

{
"inchikey":"HHZIURLSWUIHRB-UHFFFAOYSA-N",
"drugName":"Nilotinib",
"drugbankId":"DB04868",
"chemblId":"CHEMBL255863",
"pubchemCid":"644241",
"unii":"F41401512X",
"casNumber":"641571-10-0",
"atcCodes":["L01EA03"],
"moleculeType":"Small molecule",
"maxPhase":4,
"firstApprovalYear":2007,
"drugGroups":["approved","oral"],
"molecularFormula":"C28H22F3N7O",
"molecularWeight":529.5,
"primaryIndication":"Chronic Myelocytic Leukemia Accelerated Phase",
"mechanism":["Kinase Inhibitor","tyrosine kinase inhibitors"],
"url":"https://mychem.info/v1/chem/HHZIURLSWUIHRB-UHFFFAOYSA-N",
"error":null
}

✨ Why choose this Actor

• One curated record instead of a deeply nested aggregation blob.
• Cross-references DrugBank, ChEMBL, PubChem, DrugCentral, and UNII in a single row.
• Accepts names, InChIKeys, and free-text queries interchangeably.
• Keyless public source, so no API account or token juggling on the source side.
• Null is honest, never invented, so your downstream joins stay clean.

📈 How it compares to alternatives

🚀 How to use

1. Sign up for a free Apify account using this link.
2. Open the MyChem.info Drug Annotation Scraper.
3. Enter a searchQuery, a drugList of names or InChIKeys, or both.
4. Set maxItems if you want to cap the run, then start the Actor.
5. Collect your results from the dataset once the run finishes.

💼 Business use cases

Pharma competitive intelligence

Data engineering and reference data

Clinical and regulatory research

Cheminformatics

🔌 Automating MyChem.info Drug Annotation Scraper

Connect runs to the tools your team already uses:

• Make and Zapier to trigger runs and route records into other apps.
• Slack to post a summary when a run finishes.
• Airbyte to load results into a warehouse.
• GitHub Actions to schedule recurring pulls.
• Google Drive to archive each run output for your team.

🌟 Beyond business use cases

• Research: assemble a tidy drug reference table for a literature review.
• Personal: look up the formula, weight, and class of a medication you are curious about.
• Non-profit: support patient education resources with standardized drug facts.
• Experimentation: prototype a chatbot that answers questions about drug identifiers.

🤖 Ask an AI assistant

Paste your results into ChatGPT, Claude, Perplexity, or Copilot and ask it to summarize mechanisms, group drugs by ATC class, or spot gaps in your reference table.

❓ Frequently Asked Questions

Is MyChem.info free to query? Yes, MyChem.info is a keyless public BioThings API. This Actor adds resolution, curation, and clean output on top.

What can I put in the drug list? Drug names such as imatinib or metformin, or InChIKeys such as KTUFNOKKBVMGRW-UHFFFAOYSA-N. Both are accepted in the same list.

What does the search query return? It returns the best-matching compounds that carry a DrugBank annotation, so you get usable drug records rather than packaging entries.

Why is a field sometimes null? The upstream source had no value for that drug. Nulls are kept as null and never invented.

Which sources are combined? DrugBank, ChEMBL, PubChem, DrugCentral, and UNII, all keyed by InChIKey inside MyChem.info.

How is a name resolved to a record? The Actor searches MyChem.info for the name among drug-annotated compounds and selects the top match.

Can I pull a whole therapeutic area? Yes, use a search query like leukemia or kinase and raise maxItems to collect more compounds.

Does it return chemical structure? Yes, each record includes a SMILES string plus molecular formula and weight when available.

What is the InChIKey used for? It is the stable record id in MyChem.info and a portable key for joining across chemical datasets.

How many records can I get? Free plan runs are limited to 10. Paid plans can collect up to 1,000,000.

🔌 Integrate with any app

Every run writes to a structured dataset you can pull through the Apify API or connect to your stack with the integrations above.

🔗 Recommended Actors

• deps.dev Package Insights Scraper for open source package metadata.
• Libraries.io Scraper for cross-ecosystem library data.
• CRAN R Packages Scraper for the R package universe.

💡 Pro Tip: browse the complete ParseForge collection.

🆘 Need Help? Open our contact form

⚠️ Disclaimer: independent tool, not affiliated with MyChem.info or BioThings. Only publicly available data collected.