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
CHEBI:81943
CAS Number
76578-12-6
TTD ID
D07DRJ

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.