General Information of the Compound
Compound ID
CP0011624
Compound Name
AG1295
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Synonyms
2-Phenyl-6,7-dimethylquinoxaline
6,7-Dimethyl-2-phenyl-quinoxaline
6,7-Dimethyl-2-phenylquinoxaline
71897-07-9
AC1L1CSX
AC1Q2E07
AC1Q2O4Y
AC1Q4WCY
AG 1295
AG-1295
AG1295
API01003
BDBM33408
BMK1-C7
BiomolKI2_000029
BiomolKI_000019
CHEBI:94668
CHEMBL7724
CTK2H8610
ChemDiv2_000256
DTXSID10274351
FQNCLVJEQCJWSU-UHFFFAOYSA-N
GTPL5914
HMS1369L14
HMS1427I07
HMS2879L07
HMS3229M19
HMS3428I13
IFLab1_005463
MLS001194710
MolPort-000-182-258
SCHEMBL925674
TYRPHOSTIN AG 1295
Tyrphostin AG-1295
ZINC257983
ag1295
cid_2048
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Structure
Formula
C16H14N2
Molecular Weight
234.302
Canonical SMILES
Cc1cc2ncc(nc2cc1C)-c1ccccc1
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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
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InChIKey
FQNCLVJEQCJWSU-UHFFFAOYSA-N
CAS
71897-07-9
Physicochemical Property
logP
3.91364
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2048
SID: 14798231
ChEMBL ID
CHEMBL7724
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1299.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000117 SF539 Homo sapiens (Human)  1
1
IC50 = 6200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6500 nM
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000075 EoL-1 Homo sapiens (Human)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000118 U-251MG Homo sapiens (Human)  1
1
IC50 = 6200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AG1295 )
Drug Name AG1295
Target(s)
Platelet-derived growth factor receptor alpha (PDGFRA)
Inhibitor
Fms-like tyrosine kinase 3 (FLT-3)
Inhibitor
Platelet-derived growth factor receptor beta (PDGFRB)
Inhibitor
Vascular endothelial growth factor receptor 2 (KDR)
Inhibitor