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

General Information of Drug (ID: DR1748)
Drug Name
Aminosalicylic acid
Synonyms
Para-aminosalicylic acid; Paramycin; Parasal; Parasalicil; Parasalindon; Pasalon; Pasara; Pascorbic; Pasdium; Pasmed; Pasnodia; Pasolac; Propasa; Rezipas; Sanipirol-4; para-Amino salicylic acid; 2-Hydroxy-4-aminobenzoic acid; 4-Amino-2-hydroxybenzoic acid; 4-Aminosalicylate; 4-Aminosalicylic acid; 65-49-6; APAS; PAS-C; PASK; Pasa; Pasem; Paser; Aminopar; Aminosalicylic acid; Aminox; Apacil; Benzoic acid, 4-amino-2-hydroxy-; Deapasil; Entepas; Ferrosan; Gabbropas; Hellipidyl; Osacyl; P-AMINOSALICYLIC ACID; PAS (acid); Pamacyl; Pamisyl; Para-Pas
Indication Inflammatory bowel disease [ICD11: DD72] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 153.14 Topological Polar Surface Area 83.6
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
4649
ChEBI ID
CHEBI:27565
CAS Number
65-49-6
TTD Drug ID
D01WJL
Formula
C7H7NO3
Canonical SMILES
C1=CC(=C(C=C1N)O)C(=O)O
InChI
1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
InChIKey
WUBBRNOQWQTFEX-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 4-aminosalicylic acid DM000861
147034
Conjugation - Acetylation 1 [3]
Glycine-PAS DM000862 N. A. Conjugation - Conjugation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000171 Aminosalicylic acid Acetyl 4-aminosalicylic acid Conjugation - Acetylation NAT1 [3]
MR000172 Aminosalicylic acid Glycine-PAS Conjugation - Conjugation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
N-acetyltransferase 2 (NAT2) DME0051 Homo sapiens
ARY2_HUMAN
2.3.1.5
[2]
References
1 Aminosalicylic Acid was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Importance of the evaluation of N-acetyltransferase enzyme activity prior to 5-aminosalicylic acid medication for ulcerative colitis. Inflamm Bowel Dis. 2016 Aug;22(8):1793-802.
3 Pharmacokinetics of Para-Aminosalicylic Acid and Its 2 Major Metabolites: A Potential Relationship to the Development of Gastrointestinal Intolerance J Clin Pharmacol. 2020 Apr;60(4):489-494. doi: 10.1002/jcph.1542.

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