A non-redundant data set comprising 771 approved drugs was derived from the ChEMBL DrugStore database47 (link). The selected compounds were all (i) marketed drugs, (ii) classified as small molecular weight therapeutics (i.e. no nutritional supplements, diagnostic agents or biologics), (iii) of specified molecular structure, (iv) composed of at least six atoms, (v) dependent on a biological macromolecule for their mode of action (i.e. exclude chelators and buffers), (vi) orally administered, (vii) systemically absorbed (i.e. exclude compounds whose site of action is in the gastro-intestinal (GI) tract e.g. orlistat targets gastric lipase, acarbose targets enteric alpha glucosidase).
Protocol detail
Curated Approved Drug Dataset
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Acarbose
Alpha glucosidase
Biological
Biologics
Buffers
Chelators
Diagnostic
Drugs
Gastric
Gastro intestinal tract
Lipase
Molecular structure
Nutritional supplements
Orlistat
Therapeutics
Corresponding Organization :
Other organizations : University of Dundee, AstraZeneca (Sweden)
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Variable analysis
independent variables
- No independent variables are explicitly mentioned in the provided information.
- No dependent variables are explicitly mentioned in the provided information.
- The approved drugs in the data set were selected based on the following criteria:
- - Marketed drugs
- - Small molecular weight therapeutics (i.e. no nutritional supplements, diagnostic agents or biologics)
- - Specified molecular structure
- - Composed of at least six atoms
- - Dependent on a biological macromolecule for their mode of action (i.e. exclude chelators and buffers)
- - Orally administered
- - Systemically absorbed (i.e. exclude compounds whose site of action is in the gastro-intestinal (GI) tract)
- No positive controls are explicitly mentioned in the provided information.
- No negative controls are explicitly mentioned in the provided information.
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