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]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 298.12
Topological Polar Surface Area (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
PubChem CID
44405331
TTD ID
D09QZL

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 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.
2 Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
3 Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR). J Med Chem. 2007 Feb 22;50(4):765-75.
4 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
5 Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J Med Chem. 2006 Jun 1;49(11):3345-53.
6 Lipid biosynthesis as a target for antibacterial agents. Prog Lipid Res. 2001 Nov;40(6):467-97.