Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5116)
Drug Name
Azelaic Acid
Synonyms
AZA; Azelaic; Azelex; Finacea; Finevin; Skinorem; Skinoren; Acide azelaique; Acide azelaique [French]; Acido azelaico; Acido azelaico [Spanish]; Acidum azelaicum; Acidum azelaicum [Latin]; Anchoic acid; Azalaic Acid; Azelaic acid polyanhydride; Azelaic polyanhydride; Azelainic acid; Azleaic Acid; Heptanedicarboxylic acid; Lepargylic acid; NONANEDIOIC ACID; Nonanedioic acid; Polyazelaic anhydride; AZ1; Dicarboxylic acid C9; Emerox 1110; Emerox 1144; ZK 62498; A-9800; AGN-191861; Azelaic acid [USAN:INN]; Azelaic acid,technical grade; Azelex (TN); Finacea (TN); Finevin (TN); N-Nonanedioic acid; Nonanedioic acid, homopolymer; Poly(azelaic anhydride); SH-441; Skinoren (TN); ZK-62498; AZELAIC ACID, 95%; Azelaic acid (USAN/INN); Emery's L-110; 1,7-Heptanedicarboxylic acid; 1,9-Nonanedioic acid
Indication Acne vulgaris [ICD11: ED80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 188.22 Topological Polar Surface Area 74.6
Heavy Atom Count 13 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
2266
ChEBI ID
CHEBI:48131
CAS Number
123-99-9
TTD Drug ID
D0E4WR
Formula
C9H16O4
Canonical SMILES
C(CCCC(=O)O)CCCC(=O)O
InChI
InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKey
BDJRBEYXGGNYIS-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Acetyl Coenzyme A DM003095
444493
Oxidation - Oxidation 1 [2]
Malonyl CoA DM001692
644066
Oxidation - Oxidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012772 Azelaic Acid Malonyl CoA Oxidation - Oxidation Unclear [2]
MR012773 Azelaic Acid Acetyl CoA Oxidation - Oxidation Unclear [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7484).
2 Azelaic acid. A review of its pharmacological properties and therapeutic efficacy in acne and hyperpigmentary skin disorders

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