Details of the Drug

General Information of Drug (ID: DM9KMEI)

Drug Name
Quizalofop
Synonyms
Quizalofop; 76578-12-6; 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid; Quizalofop free acid; Xylafop; 95977-28-9; Quizalofop [BSI:ISO]; 2-[4-[(6-Chloroquinoxalin-2-yl)oxy]phenoxy]propanoic acid; 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid; CCRIS 9407; as sur-; Quizalofop (free acid); AC1L43YN; CHEMBL51789; SCHEMBL111413; AC1Q2C16; CTK3I8238; CHEBI:81943; DTXSID60273935; ABOOPXYCKNFDNJ-UHFFFAOYSA-N; CHEBI:137509; BCP07599; (RS)-2-(4-(6-Chloroquinoxalin-2-yloxy)phenoxy)propionic acid
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) 344.7
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H13ClN2O4
IUPAC Name
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
Canonical SMILES
CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)
InChIKey
ABOOPXYCKNFDNJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
178795
ChEBI ID
CHEMBL81943
CAS Number
76578-12-6
TTD ID
D07DRJ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA 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.