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ChEMBL Scraper: Drug-Like Molecules & Properties

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ChEMBL Scraper: Drug-Like Molecules & Properties

ChEMBL Scraper: Drug-Like Molecules & Properties

Search drug-like molecules and their properties via the EBI ChEMBL API: molecular weight, logP, development phase and approval year. No login, no proxy, no browser.

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Pay per usage

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Developer

Naimur Hasan

Naimur Hasan

Maintained by Community

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20 days ago

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ChEMBL Scraper

Searches drug-like molecules and their computed properties through the EBI ChEMBL API. No login, no proxy, no browser.

Input

FieldTypeNotes
nameContainsstringFilter on preferred name, e.g. statin. Default statin.
approvedOnlybooleanOnly molecules that reached approval (max phase 4). Default false.
maxItemsintegerCap on molecules. Default 50.

Output

One row per molecule: chemblId, prefName, moleculeType, maxPhase, phaseLabel, firstApproval, molecularWeight, alogp, hbd, hba, psa, rotatableBonds, smiles, chemblUrl.

Notes

  • Every numeric property is a string upstream ("341.75"), so all are converted — otherwise molecular weight sorts alphabetically.
  • max_phase null is not the same as phase 0. Null means no recorded development stage; 0 means explicitly preclinical. phaseLabel keeps them distinct rather than collapsing both to "Preclinical".
  • Most ChEMBL molecules have no pref_name — the database is dominated by research compounds identified only by ChEMBL ID. A null name is normal, not a mapping failure.
  • alogp, hbd, hba and psa are the Lipinski-style descriptors used to judge drug-likeness.