Small-molecule drugs are chemically defined compounds with molecular sizes low enough to interact with biological targets through conventional binding pockets and, in many cases, to cross cell membranes. They contrast with larger biologic medicines such as antibodies, recombinant proteins, and many nucleic-acid therapies.
There is no single universal molecular-weight cutoff, although 500–900 daltons is often used as a practical range depending on context. This dataset focuses on recognizable drug ingredients with reusable chemical structures and database identifiers, not every salt form, product, dose, or regulatory market.
What the identifiers mean
PubChem CID identifies a particular compound record and provides structure and property data. ChEMBL IDs connect compounds to curated medicinal-chemistry and bioactivity records. Regulatory sources such as Drugs@FDA and the Orange Book establish product and approval context, which should not be inferred from a chemical structure alone.
A drug name may refer to a neutral parent, a specific stereoisomer, a salt, or a marketed product. For computational work, confirm that the structure and protonation state in the table match the form required by the analysis.
How this list can be used
The rows provide practical inputs for descriptor calculation, similarity searching, ADMET estimation, filtering, and docking preparation. They are examples rather than a prescribing resource, and inclusion does not imply safety, efficacy, availability, or approval for a particular use or country.
How this dataset was assembled
ChEMBL is the molecule and bioactivity backbone; PubChem supplies compound identifiers and structures. FDA Drugs@FDA, Orange Book, and RxNorm should be used to validate approval status and clinical naming for expanded releases.
Each row retains source identifiers where available. Molecular weight is calculated from the recorded formula, and the original names, structures, classifications, and database links remain visible so individual entries can be checked before reuse.
People also ask
What are examples of small-molecule drugs?
Aspirin, acetaminophen, ibuprofen, metformin, atorvastatin, amoxicillin, and caffeine are familiar examples with distinct targets and therapeutic uses.
What is the difference between a small-molecule drug and a biologic?
Small molecules are usually made by chemical synthesis and have precisely defined structures. Biologics are generally much larger products made in living systems, such as antibodies or recombinant proteins.
Are all small-molecule drugs taken as tablets?
No. Small molecules can be formulated as tablets, capsules, injections, inhaled medicines, topical products, and other dosage forms.
Does a ChEMBL or PubChem record prove that a drug is approved?
No. Those databases establish chemical and research identities. Approval status must be checked against an appropriate regulator and may differ by indication, formulation, and country.
Sources and further reading
ChEMBL — Manually curated bioactive and drug-like molecule data, including drug status and ChEMBL identifiers.
PubChem — Canonical compound identifiers, names, formulas, structures, SMILES, and downloadable compound records.
FDA Drugs@FDA — Official FDA application, product, ingredient, and marketing-status data for approved drug products.
FDA Orange Book — Approved drug products, active ingredients, application numbers, RLD/RS flags, and therapeutic equivalence context.
RxNorm — Normalized clinical drug names and prescribable medication vocabulary.
RDKit — Derived descriptors such as molecular weight, LogP, TPSA, hydrogen-bond counts, and canonicalized structures.