Details of the Drug

General Information of Drug (ID: DM6ZNR3)

Drug Name

2-(2,4-dichlorophenoxy)-5-phenethylphenol

Synonyms

2-(2,4-Dichlorophenoxy)-5-(2-Phenylethyl)phenol; JPJ; Triclosan derivative, 21; CHEMBL260061; BDBM25420

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

359.2

Logarithm of the Partition Coefficient (xlogp)

6.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H16Cl2O2
IUPAC Name: 2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
Canonical SMILES: C1=CC=C(C=C1)CCC2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl)O
InChI: InChI=1S/C20H16Cl2O2/c21-16-9-11-19(17(22)13-16)24-20-10-8-15(12-18(20)23)7-6-14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2
InChIKey: SOSAEWQXZFTNAQ-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]

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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.