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Compound Detail

CHEMBL7724

AG1295
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Cc1cc2ncc(-c3ccccc3)nc2cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7724
Name AG1295
Phase Preclinical
Structure Type MOL
InChI Key FQNCLVJEQCJWSU-UHFFFAOYSA-N
6
Targets
12
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.91
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2
MW 234.30
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.07

Activity Summary

IC50 12 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
 IC50 6.4 5.835 400.0 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 5.96 5.96 1100.0 2
MV4-11
CHEMBL613835
 IC50 5.66 5.66 2200.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 5.27 5.27 5400.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 5.21 5.205 6200.0 4
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 5.21 5.21 6200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 400.0 nM 6.4 Inhibitory activity against platelet-derived growth factor receptor tyrosine kin... 8667360
Receptor-type tyrosine-protein kinase FLT3 IC50 = 1100.0 nM 5.96 Inhibition of endogenous FLT3 in EOL1 cells 16722630
Receptor-type tyrosine-protein kinase FLT3 IC50 = 1100.0 nM 5.96 Inhibition of endogenous FLT3 autophosphorylation in EOL1 cells 17210255
MV4-11 IC50 = 2200.0 nM 5.66 Antiproliferative activity against human MV4-11 cells assessed as reduction in c... 32659083
Platelet-derived growth factor receptor IC50 = 5400.0 nM 5.27 Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts 16722630
Platelet-derived growth factor receptor beta IC50 = 5400.0 nM 5.27 Inhibition of endogenous PDGFRbeta autophosphorylation in Swiss 3T3 fibroblasts 17210255
Platelet-derived growth factor receptor beta IC50 = 6200.0 nM 5.21 Inhibition of PDGFRbeta expressed in human tumor cells 18467105
Vascular endothelial growth factor receptor 2 IC50 = 6200.0 nM 5.21 Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA 19748785
Platelet-derived growth factor receptor beta IC50 = 6200.0 nM 5.21 Inhibition of PDGFBB-induced PDGFRbeta autophosphorylation in human SF539 cells ... 22370340
Platelet-derived growth factor receptor beta IC50 = 6200.0 nM 5.21 Inhibition of PDGF-BB-induced PDGFR beta phosphorylation in human SF539 cells ov... 23375090
Platelet-derived growth factor receptor beta IC50 = 6500.0 nM 5.19 Inhibition of PDGFRbeta 20403693

Literature References

PubMed DOI Target Context # Activities
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 4
23398362 10.1042/bj20121418 Insulin-like growth factor 1 receptor 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 5/CDK5 activator 1 4
23398362 10.1042/bj20121418 Insulin receptor 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase Lck 4
23398362 10.1042/bj20121418 Protein kinase C beta type 4
23398362 10.1042/bj20121418 cGMP-dependent protein kinase 1 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase MARK1 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 4 2
23398362 10.1042/bj20121418 Death-associated protein kinase 1 2
23398362 10.1042/bj20121418 Calcium/calmodulin-dependent protein kinase type 1D 2
23398362 10.1042/bj20121418 Cyclin-dependent kinase 2/cyclin A 2
23398362 10.1042/bj20121418 Tyrosine-protein kinase ABL2 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase Nek7 2
23398362 10.1042/bj20121418 SRSF protein kinase 3 2
23398362 10.1042/bj20121418 Tyrosine-protein kinase Fyn 2
23398362 10.1042/bj20121418 Dual specificity mitogen-activated protein kinase kinase 1 2
23398362 10.1042/bj20121418 Mitogen-activated protein kinase 10 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase 4 2

Data from ChEMBL 36 via Core Engine