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
• #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: CHEBI:34689
  CAS Number: 97-23-4
  VARIDT ID: DR01715

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]

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.