Details of the Drug

General Information of Drug (ID: DMT10C2)

Drug Name
AG1295
Synonyms
6,7-Dimethyl-2-phenylquinoxaline; 71897-07-9; ag1295; AG-1295; AG 1295; CHEMBL7724; TYRPHOSTIN AG 1295; BiomolKI_000019; Tyrphostin AG-1295; AC1Q4WCY; AC1L1CSX; ChemDiv2_000256; BiomolKI2_000029; AC1Q2O4Y; cid_2048; BMK1-C7; MLS001194710; SCHEMBL925674; IFLab1_005463; GTPL5914; AC1Q2E07; CHEBI:94668; BDBM33408; CTK2H8610; DTXSID10274351; MolPort-000-182-258; FQNCLVJEQCJWSU-UHFFFAOYSA-N; 2-Phenyl-6,7-dimethylquinoxaline; HMS1427I07; HMS3229M19; HMS2879L07; HMS1369L14; ZINC257983; HMS3428I13; API01003; 6,7-Dimethyl-2-phenyl-quinoxaline
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 234.29
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H14N2
IUPAC Name
6,7-dimethyl-2-phenylquinoxaline
Canonical SMILES
CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
FQNCLVJEQCJWSU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2048
ChEBI ID
CHEBI:94668
CAS Number
71897-07-9
TTD ID
D06GBK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fms-like tyrosine kinase 3 (FLT-3) TTGJCWZ FLT3_HUMAN Inhibitor [1]
Platelet-derived growth factor receptor alpha (PDGFRA) TT8FYO9 PGFRA_HUMAN Inhibitor [2]
Platelet-derived growth factor receptor beta (PDGFRB) TTI7421 PGFRB_HUMAN Inhibitor [1]
Vascular endothelial growth factor receptor 2 (KDR) TTUTJGQ VGFR2_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Vascular endothelial growth factor receptor 2 (KDR) DTT KDR 6.79E-01 0.05 0.19
Vascular endothelial growth factor receptor 2 (KDR) DTT KDR 7.67E-01 0.61 0.61
Fms-like tyrosine kinase 3 (FLT-3) DTT FLT3 4.98E-01 -0.49 -0.75
Fms-like tyrosine kinase 3 (FLT-3) DTT FLT3 1.15E-01 -0.35 -0.75
Platelet-derived growth factor receptor alpha (PDGFRA) DTT PDGFRA 4.48E-02 1.37 3.31
Platelet-derived growth factor receptor alpha (PDGFRA) DTT PDGFRA 9.98E-03 2.15 1.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Inhibition of FLT3 and PDGFR tyrosine kinase activity by bis(benzo[b]furan-2-yl)methanones. Bioorg Med Chem. 2007 Mar 1;15(5):2187-97.
2 Novel bis(1H-indol-2-yl)methanones as potent inhibitors of FLT3 and platelet-derived growth factor receptor tyrosine kinase. J Med Chem. 2006 Jun 1;49(11):3101-15.
3 Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase i... Bioorg Med Chem. 2009 Oct 15;17(20):7324-36.