Documentation and Sources

Introduction to DrugBank

DrugBank is a detailed database on small molecule and biotech drugs. Each drug entry ("DrugCard") includes extensive information on properties, structure, and biology (what the drug does in the body). Below you can find some definitions, and a detailed reference of the sources used for each field.

Drug Type

Drugs are categorized by type, which determines their origin. Here is the list of possible types:

Small Molecule

Low molecular weight drugs (900 daltons) which are produced by chemical synthesis. These drugs have well defined structures and chemical properties. In DrugBank, some drugs larger than 900 daltons are considered small molecule drugs (such as monomers: ribo- or deoxyribonucleotides, amino acids, and monosaccharides), as long as they are chemically synthesized.

Biotech

Drugs with a biological origin (manufactured in, extracted from, or semisynthesized from biological sources). These include vaccines, blood, blood components, allergenics, somatic cells, gene therapies, tissues, recombinant therapeutic protein, and living cells used in cell therapy. Biotech drugs are also known as biopharmaceuticals or biologics.

Drug Group(s)

Drugs are categorized by group, which determines their drug development status. Here is the list of possible groups:

Approved

A drug that has been approved in at least one jurisdiction, at some point in time. This does not mean the drug is currently approved or available, just that it has been approved and marketed at some point, somewhere. Different jurisdictions also have a different concept for "approval". For example drugs that are available over-the-counter in the U.S. may not be technically approved, whereas over-the-counter drugs in Canada are considered approved.

Vet Approved

A drug that has been approved in at least one jurisdiction, at some point in time for the treatment of animals.

Nutraceutical

A drug that is a pharmaceutical-grade and standardized nutrient (with confirmed or unconfirmed health benefits)

Illicit

A drug that is scheduled in at least one jurisdiction, at some point in time.

Withdrawn

A previously approved drug that has been withdrawn from the market in at least one jurisdiction, at some point in time. Note that because a drug can be approved in one jurisdiction, and withdrawn in another, it's possible for a drug to be in both groups. If a drug has been approved at some point in time, and then withdrawn, it would also be in both drug groups.

Investigational

A drug that is in some phase of the drug approval process in at least one jurisdiction.

Experimental

A compound that has been shown experimentally to bind specific proteins in mammals, bacteria, viruses, fungi, or parasites. This includes compounds that are Pre-Investigational New Drug Applications (Pre-IND, or Discovery Phase compounds).

---

Drug Binding

Each drug can have one or more targets, enzymes, transporters, and carriers associated with it. Here are the definitions for these different relationships:

Target

A protein, macromolecule, nucleic acid, or small molecule to which a given drug binds, resulting in an alteration of the normal function of the bound molecule and a desirable therapeutic effect. Drug targets are most commonly proteins such as enzymes, ion channels, and receptors.

Enzyme

A protein which catalyzes chemical reactions involving the a given drug (substrate). Most drugs are metabolized by the Cytochrome P450 enzymes.

Transporter

A membrane bound protein which shuttles ions, small molecules or macromolecules across membranes, into cells or out of cells.

Carrier

A secreted protein which binds to drugs, carrying them to cell transporters, where they are moved into the cell. Drug carriers may be used in drug design to increase the effectiveness of drug delivery to the target sites of pharmacological actions.

Targets, Enzymes, Carriers, And Transporters may switch roles depending on the drug to which they bind. Some drugs specifically target transporters, and in this case a transporter can also be the target (for example: Procaine targeting the Sodium-dependent dopamine transporter).

Pharmacological Action

A target is marked with pharmacological action "yes" if the target is directly related to it's clinical mechanism of action. Targets that have a pharmacological action of "no" are considered off-targets, and may be related to side effects or drug interactions. "Unknown" indicates there is not enough evidence, or it has not yet been reviewed.

---

Guidelines for Cytochrome P-450 Interactions

CYP Substrate Sensitivity:

• >5 fold change in AUC with index strong inhibitor = sensitive
• 2 - 5 fold = moderate sensitivity
• <2 fold = not sensitive

CYP Inhibitor Strength:

• >5 fold change in AUC for index sensitive substrate = strong
• 2 - 5 fold = moderate
• 1.25 - 2 = weak
• <1.25 = no significant inhibition

CYP Inducer Strength:

• >80% reduction in AUC for index sensitive substrate = strong
• 50-80% reduction = moderate
• 20-50% reduction = weak
• <20% = no significant inducement

---

Drug Field Documentation and Sources

Data sources indicate the source of the information present in each field. Data sources do not indicate that all sources were used for a particular field and drug. Individual drug reference information can be found in the "General References" section of each drug.

Target / Enzyme / Transporter / Carrier Field Documentation