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

General Information of Drug (ID: DR1458)
Drug Name
ANW-43703
Synonyms
Acido salicilico; Acidum salicylicum; Benzoic acid, 2-hydroxy-; Salicylic acid; Clear away wart remover; Duoplant; Freezone; Ionil-Plus; Keralyt; Kyselina salicylova; Orthohydroxybenzoic acid; Phenol-2-carboxylic acid; Psoriacid-S-stift; Retarder W; Rutranex; Salicylic acid collodion; Salicylic acid soap; Salicylic acid, tech.; Saligel; Salonil; Stri-Dex; Trans-Ver-Sal; Verrugon; o-Carboxyphenol; o-hydroxybenzoic acid; salicylate; salicylic acid; 2-Carboxyphenol; 2-Hydroxybenzenecarboxylic acid; 2-Hydroxybenzoic acid; 69-72-7; Ionil
Indication Anogenital warts [ICD11: 1A95] Phase 2/3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 138.12 Topological Polar Surface Area 57.5
Heavy Atom Count 10 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
338
PubChem SID
4063 ; 67116 ; 587978 ; 602430 ; 819755 ; 819897 ; 823464 ; 826329 ; 841486 ; 854399 ; 3135021 ; 6435737 ; 7694870 ; 7847165 ; 7890372 ; 7980555 ; 8139912 ; 8145741 ; 8150584 ; 10318573 ; 10533161 ; 11335476 ; 11360715 ; 11363842 ; 11366404 ; 11368966 ; 11377128 ; 11461687 ; 11494762 ; 14747739 ; 17435988 ; 17435989 ; 22391538 ; 24438713 ; 24715046 ; 24846714 ; 24854876 ; 24856524 ; 24888186 ; 24899681 ; 24899745 ; 24899797 ; 24901960 ; 26512236 ; 26736241 ; 26754507 ; 29215390 ; 29497303 ; 33247984 ; 46487944
ChEBI ID
ChEBI:16914
CAS Number
69-72-7
TTD Drug ID
D07HBX
Formula
C7H6O3
Canonical SMILES
C1=CC=C(C(=C1)C(=O)O)O
InChI
1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
YGSDEFSMJLZEOE-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
Gentistic acid DM001774
3469
Oxidation - Aromatic hydroxylation 1 [2]
Gentisuric acid DM006042
161488
Unclear 1 [2] , [3]
Salicylacyl glucuronide DM006043
168876
Conjugation - Conjugation 1 [2] , [3]
Salicylphenol glucuronide DM006044 N. A. Conjugation - Conjugation 1 [2] , [3]
Gentisuric acid DM006042
161488
Unclear 2 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006504 ANW-43703 Gentistic acid Oxidation - Aromatic hydroxylation CYP2C9 [2]
MR006506 ANW-43703 Salicylacyl glucuronide Conjugation - Conjugation UGT1A6 [2], [3]
MR006507 ANW-43703 Salicylphenol glucuronide Conjugation - Conjugation UGT [2], [3]
MR006508 ANW-43703 Salicyuric acid Unclear NAT2 [2], [3]
MR006505 Gentistic acid Gentisuric acid Unclear NAT2 [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
N-acetyltransferase 2 (NAT2) DME0051 Homo sapiens
ARY2_HUMAN
2.3.1.5
[2] , [3]
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Homo sapiens
UD16_HUMAN
2.4.1.17
[2] , [3]
Unclear metabolic mechanism (DME-unclear) DME1287 Ralstonia solanacearum Not Available Not Available [4] , [5]
References
1 ClinicalTrials.gov (NCT02151630) Pyruvic Acid Versus Salicylic Acid Preparation in Treatment of Plantar Warts.
2 Aromatic hydroxylation of salicylic acid and aspirin by human cytochromes P450. Eur J Pharm Sci. 2015 Jun 20;73:49-56.
3 Polymorphisms of Aspirin-Metabolizing Enzymes CYP2C9, NAT2 and UGT1A6 in Aspirin-Intolerant Urticaria. Allergy Asthma Immunol Res. 2011 Oct;3(4):273-6.
4 Vaginal microbiome in early pregnancy and subsequent risk of spontaneous preterm birth: a case-control study. BJOG. 2019 Feb;126(3):349-358.
5 Involvement of a PadR regulator PrhP on virulence of Ralstonia solanacearum by controlling detoxification of phenolic acids and type III secretion system. Mol Plant Pathol. 2019 Nov;20(11):1477-1490.

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