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
  Topological Polar Surface Area (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.
• [2] Doxorubicin transport by RALBP1 and ABCG2 in lung and breast cancer. Int J Oncol. 2007 Mar;30(3):717-25.
• [3] Wild-type breast cancer resistance protein (BCRP/ABCG2) is a methotrexate polyglutamate transporter. Cancer Res. 2003 Sep 1;63(17):5538-43.
• [4] The effect of low pH on breast cancer resistance protein (ABCG2)-mediated transport of methotrexate, 7-hydroxymethotrexate, methotrexate diglutamate, folic acid, mitoxantrone, topotecan, and resveratrol in in vitro drug transport models. Mol Pharmacol. 2007 Jan;71(1):240-9.
• [5] Role of BCRP as a biomarker for predicting resistance to 5-fluorouracil in breast cancer. Cancer Chemother Pharmacol. 2009 May;63(6):1103-10.
• [6] Inhibiting the function of ABCB1 and ABCG2 by the EGFR tyrosine kinase inhibitor AG1478. Biochem Pharmacol. 2009 Mar 1;77(5):781-93.
• [7] Sterol transport by the human breast cancer resistance protein (ABCG2) expressed in Lactococcus lactis. J Biol Chem. 2003 Jun 6;278(23):20645-51.
• [8] The phytoestrogen genistein enhances multidrug resistance in breast cancer cell lines by translational regulation of ABC transporters. Cancer Lett. 2016 Jun 28;376(1):165-72.
• [9] Curcumin inhibits the activity of ABCG2/BCRP1, a multidrug resistance-linked ABC drug transporter in mice. Pharm Res. 2009 Feb;26(2):480-7.
• [10] Imatinib mesylate (STI571) is a substrate for the breast cancer resistance protein (BCRP)/ABCG2 drug pump. Blood. 2004 Nov 1;104(9):2940-2.