Details of the Drug

General Information of Drug (ID: DMKP974)

Drug Name

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

Synonyms

2-(2,4-dichlorophenoxy)-5-propylphenol; Triclosan derivative, 9; CHEMBL263896; BDBM25408

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)

297.2

Logarithm of the Partition Coefficient (xlogp)

5.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H14Cl2O2
IUPAC Name: 2-(2,4-dichlorophenoxy)-5-propylphenol
Canonical SMILES: CCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl)O
InChI: InChI=1S/C15H14Cl2O2/c1-2-3-10-4-6-15(13(18)8-10)19-14-7-5-11(16)9-12(14)17/h4-9,18H,2-3H2,1H3
InChIKey: ILBQDZVPNAVUMD-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	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.