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

General Information of Drug (ID: DR1967)
Drug Name
Asacolitin
Synonyms
Apriso; Asacol; Asacol HD; 5-Aminosalicylic acid; Benzoic acid, 5-amino-2-hydroxy-; Canasa; Claversal; Fisalamine; Lialda; Lixacol; Mesalamine [USAN]; Mesalazina; Mesalazina [Spanish]; Mesalazine; Mesalazinum; Mesalazinum [Latin]; Mesasal; Pentasa; Rowasa; Salofalk; m-Aminosalicylic acid; mesalamine; p-Aminosalicylsaeure; p-Aminosalicylsaeure [German]; sfRowasa; 2-Hydroxy-5-aminobenzoic acid; 5-ASA; 5-Amino Salicylic Acid; 5-Amino-2-hydroxybenzoic acid; 5-amino-2-hydroxy-benzoic acid; 89-57-6
Indication Inflammatory bowel disease [ICD11: DD72] Investigative [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
4075
ChEBI ID
CHEBI:6775
CAS Number
89-57-6
Formula
C7H7NO3
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)
InChIKey
KBOPZPXVLCULAV-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
N-acetyl-5-ASA DM006897 N. A. Conjugation - N-acetylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007496 Asacolitin N-acetyl-5-ASA Conjugation - N-acetylation NAT [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Arylamine N-acetyltransferase (NAT) DME1099 Vibrio cholerae
A0A3P8LE58_TSUPA
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1100 Shigella flexneri
A0A1C3HAL9_SERMA
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1101 Plesiomonas shigelloides
A0A5E5R1G5_PSEAI
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1102 Morganella morganii
A0A0A2RAD0_MORMO
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1104 Serratia marcescens
A0A1C3HAL9_SERMA
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1107 Citrobacter farmeri
A0A223JRX2_9ENTR
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1108 Klebsiella oxytoca
A0A0H3HB23_KLEOK
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1110 Pseudomonas aeruginosa
A0A5E5R1G5_PSEAI
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1103 Citrobacter freundii
A0A0D7LKP9_CITFR
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1109 Citrobacter amalonaticus
A0A381G6X4_CITAM
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1111 Salmonella enterica
NHOA_SALTY
2.3.1.5
[2]
Arylamine N-acetyltransferase (NAT) DME1106 Klebsiella pneumoniae
A0A1C3Q7F5_KLEPN
2.3.1.5
[2]
N-acetyltransferase 1 (NAT1) DME0050 Homo sapiens
ARY1_HUMAN
2.3.1.5
[2]
N-acetyltransferase 2 (NAT2) DME0051 Homo sapiens
ARY2_HUMAN
2.3.1.5
[2]
⏷ Show the Full List of 14  DME(s)
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
N-acetyltransferase 1 (NAT1) DME0050 Km = 0.0067 microM
ARY1_HUMAN
[2]
N-acetyltransferase 2 (NAT2) DME0051 Km = 0.0067 microM
ARY2_HUMAN
[2]
References
1 The Drugs.com International Drug Name Database: Mesalamine
2 Identification and functional characterization of arylamine N-acetyltransferases in eubacteria: evidence for highly selective acetylation of 5-aminosalicylic acid. J Bacteriol. 2001 Jun;183(11):3417-27.

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