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
CHEMBL7724
CAS Number
71897-07-9
TTD ID
D06GBK
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

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.