Details of the Drug

General Information of Drug (ID: DMBHFIM)

Drug Name

2-(4-chloro-2-hydroxyphenoxy)benzenaminium

Synonyms

2-(2-aminophenoxy)-5-chlorophenol; CHEMBL206178; 832734-14-2; 2-(4-chloro-2-hydroxyphenoxy)benzenaminium; CTK3D3158; DTXSID60658783; BDBM50182380; Phenol, 2-(2-aminophenoxy)-5-chloro-

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)

235.66

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H10ClNO2
IUPAC Name: 2-(2-aminophenoxy)-5-chlorophenol
Canonical SMILES: C1=CC=C(C(=C1)N)OC2=C(C=C(C=C2)Cl)O
InChI: InChI=1S/C12H10ClNO2/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7,15H,14H2
InChIKey: HJXYQHRZHJFAGC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44410251
CAS Number: 832734-14-2
TTD ID: D0A9HU

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design and in silico screening of combinatorial library of antimalarial analogs of triclosan inhibiting Plasmodium falciparum enoyl-acyl carrier pr... Eur J Med Chem. 2009 Jul;44(7):3009-19.