Details of the Drug

General Information of Drug (ID: DMB96SY)

Drug Name
4-(2,4-dichloro-phenoxy)-biphenyl-3-ol
Synonyms Triclosan derivative, 3; CHEMBL258772; BDBM25402; 2-(2,4-dichlorophenoxy)-5-phenylphenol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 331.2
Logarithm of the Partition Coefficient (xlogp) 6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H12Cl2O2
IUPAC Name
2-(2,4-dichlorophenoxy)-5-phenylphenol
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H12Cl2O2/c19-14-7-9-17(15(20)11-14)22-18-8-6-13(10-16(18)21)12-4-2-1-3-5-12/h1-11,21H
InChIKey
NOKHJANPMHROFU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25023954
ChEBI ID
CHEMBL258772
TTD ID
D01TGI
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Enoyl-ACP reductase (Malaria fabI) TTNX2CS Q965D5_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalar... J Biol Chem. 2007 Aug 31;282(35):25436-44.