A dataset containing all Chemicals with the Type of "Drug" in the PharmGKB knowledgebase. Not all of these drugs have been involved in PharmGKB annotations.
drug_pharmgkbA data frame with 3493 obs. of 24 variables:
Identifier assigned to this chemical by PharmGKB
Name PharmGKB uses for this drug
Known generic names for this drug, comma-separated and "-enclosed
Known trade names for this drug, comma-separated and "-enclosed
Known brand mixtures this drug is in, comma-separated and "-enclosed
Categories PharmGKB has assigned to this drug, can be more than one, possible values: Drug, Metabolite, Ion, Drug Class, Biological Intermediate, Small Molecule, Prodrug
References to other resources in the form "resource:id", comma-separated
The SMILES structure for this drug
The InCHI key for this drug
"Yes" if PharmGKB has annotated a guideline with this drug, "No" otherwise
Term for this drug in another vocabulary in the form "vocabulary:id", comma-separated
Not described in drug.zip documentation
Not described in drug.zip documentation
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Not described in drug.zip documentation
Not described in drug.zip documentation
Not described in drug.zip documentation
Not described in drug.zip documentation
Not described in drug.zip documentation
Not described in drug.zip documentation
Not described in drug.zip documentation
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Not described in drug.zip documentation
Multiple "Type" values can be assigned to a given entry since the same substance can be used in different contexts. The "Type" values used for Drugs & Chemicals are as follows:
Drug A chemical substance used in the treatment, cure,prevention, or diagnosis of disease.
Metabolite Any intermediate or product resulting from metabolism.
Ion An atomic or molecular particle having a net electric charge.
Drug Class A drug class is a group of medications that may work in the same way, have a similar chemical structure, or are used to treat the same health condition.
Biological Intermediate An endogenous small molucule or ion.
Small Molecule An electrically neutral entity consisting of more than one atom.
Prodrug A compound that must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.