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

General Information of Drug (ID: DR0086)
Drug Name
Aminobenzoic acid
Synonyms
AMINOBENZOIC ACID; Anti-chromotrichia factor; Anticanitic vitamin; Bacterial vitamin H1; Benzoic acid, 4-amino-; Benzoic acid, p-amino-; Chromotrichia factor; Hachemina; Pabacyd; Pabafilm; Pabamine; Papacidum; Paraminol; Paranate; Potaba; RVPaba Lipstick; Romavit; Rvpaba; Sunbrella; Super Shade by Coppertone; Trichochromogenic factor; Vitamin BX; Vitamin H'; p-Carboxyaniline; p-Carboxyphenylamine; p-aminobenzoic acid; para-aminobenzoic acid; 1-Amino-4-carboxybenzene; 150-13-0; 4-Carboxyaniline; 4-aminobenzoic acid; Amben; PABA
Indication Penile fibromatosis [ICD11: GB06] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 137.14 Topological Polar Surface Area 63.3
Heavy Atom Count 10 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
978
ChEBI ID
CHEBI:30753
CAS Number
150-13-0
Formula
C7H7NO2
Canonical SMILES
C1=CC(=CC=C1C(=O)O)N
InChI
1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey
ALYNCZNDIQEVRV-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
Aminobenzoic acid Metabolite A3 DM003797 N. A. Oxidation - Oxidationn 1 [3]
Folates DM003798 N. A. Unclear 1 [6]
N-acetyl-p-aminobenzoic acid DM003795
19266
Conjugation - N-acetylation 1 [2]
p-acetamidohippuric acid (PAAHA) DM003796
23664462
Unclear 2 [7]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004151 Aminobenzoic acid N-acetyl-p-aminobenzoic acid Conjugation - N-acetylation nat [2]
MR004153 Aminobenzoic acid Aminobenzoic acid Metabolite A3 Oxidation - Oxidationn MPO [3]
MR004154 Aminobenzoic acid Folates Unclear Unclear [6]
MR004152 N-acetyl-p-aminobenzoic acid p-acetamidohippuric acid (PAAHA) Unclear Unclear [7]
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]
Myeloperoxidase (MPO) DME0096 Homo sapiens
PERM_HUMAN
1.11.2.2
[3]
RNA cytidine acetyltransferase (hALP) DME0007 Homo sapiens
NAT10_HUMAN
2.3.1.5
[4]
Sulfotransferase 1A1 (SULT1A1) DME0008 Homo sapiens
ST1A1_HUMAN
2.8.2.1
[5]
References
1 Influence of coformer stoichiometric ratio on pharmaceutical cocrystal dissolution: three cocrystals of carbamazepine/4-aminobenzoic acid. Mol Pharm. 2016 Mar 7;13(3):990-5.
2 Human placental transfer and metabolism of p-aminobenzoic acid
3 Biotransformation of para-aminobenzoic acid and salicylic acid by PMN
4 Leukemia inhibitory factor decreases the arylamine N-acetyltransferase activity in human cumulus granulosa cells. J Assist Reprod Genet. 2001 Dec;18(12):660-4.
5 Activities of drug metabolizing enzymes in bovine colon epithelial cell cultures. Arch Toxicol. 2003 Nov;77(11):621-9.
6 p-Aminobenzoic acid transport by normal and Plasmodium falciparum-infected erythrocytes
7 Metabolic kinetics of p-aminobenzoic acid in rabbits

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.