Details of the Drug

General Information of Drug (ID: DMUANX1)

• Drug Name: 2-(4-amino-2-chlorophenoxy)-5-chlorophenol
• Synonyms: 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL; CHEMBL383166; TN5; AC1OA9T5

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 270.11
  Topological Polar Surface Area (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C12H9Cl2NO2
  IUPAC Name: 2-(4-amino-2-chlorophenoxy)-5-chlorophenol
  Canonical SMILES: C1=CC(=C(C=C1N)Cl)OC2=C(C=C(C=C2)Cl)O
  InChI: InChI=1S/C12H9Cl2NO2/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,16H,15H2
  InChIKey: MCYCMAVHVQGDNE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6852148
  TTD ID: D0X4BJ

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]

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.