Details of the Drug

General Information of Drug (ID: DMZ5JFG)

Drug Name

3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide

Synonyms

CHEMBL198887; 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide

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): 0

Molecular Weight (mw)

298.12

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H9Cl2NO3
IUPAC Name: 3-chloro-4-(4-chloro-2-hydroxyphenoxy)benzamide
Canonical SMILES: C1=CC(=C(C=C1C(=O)N)Cl)OC2=C(C=C(C=C2)Cl)O
InChI: InChI=1S/C13H9Cl2NO3/c14-8-2-4-12(10(17)6-8)19-11-3-1-7(13(16)18)5-9(11)15/h1-6,17H,(H2,16,18)
InChIKey: XMCNGTFAEHHMRY-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	Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. ... Bioorg Med Chem Lett. 2005 Dec 1;15(23):5247-52.