Details of the Drug

General Information of Drug (ID: DMDKXYC)

Drug Name
Parabis
Synonyms
Dichlorophen; dichlorophene; Dichlorofen; Dichlorphen; 2,2'-Methylenebis(4-chlorophenol); Didroxane; Didroxan; Trivex; Difentan; Dicestal; Antiphen; Vermithana; Teniatol; Prevental; Teniotol; Embephen; Anthiphen; Teniathane; Taeniatol; Panacide; Cordocel; Palacel; Halenol; Parabis; Korium; Hyosan; Antifen; Dichlorophen B; Dichlorophene 10; Dichloorfeen; Gingivit; Wespuril; Gefir; Fungicide M; Plath-Lyse; DDDM; Bis(5-chloro-2-hydroxyphenyl)methane; Preventol GD; Fungicide GM; Preventol GDC; Diphenthane 70; Sandocide; Super mosstox
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
VARIDT ID
DR01715
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Human and rat ABC transporter efflux of bisphenol a and bisphenol a glucuronide: interspecies comparison and implications for pharmacokinetic assessment. Toxicol Sci. 2012 Aug;128(2):317-25.