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

General Information of Drug (ID: DR1032)
Drug Name
Mesalazine
Synonyms Mesalaminate; Mesalaminate anion; Mesalaminate(1-); 3-carboxy-4-hydroxyaniline; 5-amino-2-hydroxybenzoate; 5-aminosalicylate anion; 5-aminosalicylate(1-); AC1MOBUX; CHEBI:20551; CJ-00062; GTPL4655
Indication Ulcerative colitis [ICD11: DD71] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 152.13 Topological Polar Surface Area 86.4
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
54675840
PubChem SID
866366 ; 4390743 ; 14709232 ; 34778794 ; 49658653 ; 57356181 ; 78510117 ; 104233767 ; 111935474 ; 137156496 ; 137519971 ; 141829680 ; 178101371 ; 223454459 ; 223485416
ChEBI ID
ChEBI:6775
CAS Number
89-57-6
TTD Drug ID
D0C4YC
Formula
C7H6NO3-
Canonical SMILES
C1=CC(=C(C=C1N)C(=O)O)[O-]
InChI
1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p-1
InChIKey
KBOPZPXVLCULAV-UHFFFAOYSA-M
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
N-acetyl?mesalazine DM015044
65512
Conjugation - N-acetylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009983 Mesalazine N-acetyl?mesalazine Conjugation - N-acetylation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
RNA cytidine acetyltransferase (hALP) DME0007 Homo sapiens
NAT10_HUMAN
2.3.1.5
[2]
References
1 Mesalazine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 NAT1 genotypes do not predict response to mesalamine in patients with ulcerative colitis. Z Gastroenterol. 2008 Mar;46(3):259-65.
3 Population pharmacokinetics and IVIVC for mesalazine enteric-coated tablets

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