Details of the Drug

General Information of Drug (ID: DMY6GWF)

Drug Name

4-(2,4-dichlorophenoxy)-3'-methylbiphenyl-3-ol

Synonyms

Triclosan derivative, 17; CHEMBL260978; BDBM25416; 2-(2,4-dichlorophenoxy)-5-(m-tolyl)phenol

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)

345.2

Logarithm of the Partition Coefficient (xlogp)

6.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H14Cl2O2
IUPAC Name: 2-(2,4-dichlorophenoxy)-5-(3-methylphenyl)phenol
Canonical SMILES: CC1=CC(=CC=C1)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl)O
InChI: InChI=1S/C19H14Cl2O2/c1-12-3-2-4-13(9-12)14-5-7-19(17(22)10-14)23-18-8-6-15(20)11-16(18)21/h2-11,22H,1H3
InChIKey: GFJKNHKOZLFIJW-UHFFFAOYSA-N

Cross-matching ID

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	Design and in silico screening of combinatorial library of antimalarial analogs of triclosan inhibiting Plasmodium falciparum enoyl-acyl carrier pr... Eur J Med Chem. 2009 Jul;44(7):3009-19.