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
CHEMBL365
CAS Number
69806-34-4
UNII
I57833604I
DrugBank ID
DB07870
TTD ID
D04MKK
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.