Details of the Drug

General Information of Drug (ID: DM37KVY)

Drug Name
HY-12638
Synonyms
Anthiphen; Dichlorophen; Antifen; Antiphen; Cordocel; Dicestal; Dichloorfeen; Dichlorofen; Dichlorophen B; Dichlorophene 10; Dichlorphen; Didroxan; Didroxane; Difentan; Diphenthane 70; Embephen; Fungicide GM; Fungicide M; Gingivit; Halenol; Hyosan; Korium; Palacel; Panacide; Parabis; Plath-Lyse; Prevental; Preventol GD; Preventol GDC; Sandocide; Super mosstox; Taeniatol; Teniathane; Teniatol; Teniotol; Trivex; Vermithana; Wespuril; dichlorophene; 2,2'-Methylenebis(4-chlorophenol); 97-23-4; Bis(5-chloro-2-hydroxyphenyl)methane; DDDM; Gefir
ATC Code
P02DX02: HY-12638
P02DX: Other anticestodals
P02D: ANTICESTODALS
P02: ANTHELMINTICS
P: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 269.12
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H10Cl2O2
IUPAC Name
4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
Canonical SMILES
C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
InChI
InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
InChIKey
MDNWOSOZYLHTCG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3037
ChEBI ID
CHEMBL33845
CAS Number
97-23-4
UNII
T1J0JOU64O
DrugBank ID
DB11396
INTEDE ID
DR2278
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 BM3 (cypBM3)
Main DME 		DEMQRS9 M9TKI6_BACME Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 PEGylation of cytochrome P450 enhances its biocatalytic performance for pesticide transformation. Int J Biol Macromol. 2017 Dec;105(Pt 1):163-170.