Details of the Drug

General Information of Drug (ID: DM5SULN)

Drug Name
Haloxyfop
Synonyms
HALOXYFOP; 69806-34-4; 2-(4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoic acid; Haloxyfop [ANSI:BSI:ISO]; Haloxyfop-P; GOCUAJYOYBLQRH-UHFFFAOYSA-N; 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid; 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propanoic acid; 2-(4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acid; Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-
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) 361.7
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C15H11ClF3NO4
IUPAC Name
2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid
Canonical SMILES
CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)
InChIKey
GOCUAJYOYBLQRH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
50895
ChEBI ID
CHEBI:365
CAS Number
69806-34-4
TTD ID
D04MKK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Acetyl-CoA carboxylase 1 (Malaria ACC1) TTYAWV0 Q9U752_PLAFA Binder [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51.