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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

270.11

Logarithm of the Partition Coefficient (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

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.