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]
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
ChEBI ID
CHEMBL206178
CAS Number
832734-14-2
TTD ID
D0A9HU
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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 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.