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Compound Detail

CHEMBL57323

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Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57323
Phase Preclinical
Structure Type MOL
InChI Key GQMZTFFTTCUZAW-UHFFFAOYSA-N
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
3.81
ALogP
5
HBA
3
HBD
105.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N6O
MW 364.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.73

Activity Summary

IC50 10 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 6.96 6.96 110.0 2
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 6.96 6.96 110.0 1
Platelet-derived growth factor receptor
CHEMBL2095189
 IC50 6.47 6.47 340.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 6.47 6.47 340.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 6.47 6.47 340.0 1
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 6.4 6.4 400.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.4 6.4 400.0 2
Epidermal growth factor receptor
CHEMBL203
 IC50 6.21 6.21 610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 110.0 nM 6.96 Inhibition of C-src tyrosine kinase 9240345
Proto-oncogene tyrosine-protein kinase Src IC50 = 110.0 nM 6.96 Ability to prevent phosphorylation of avian c-Src TK 11384237
Proto-oncogene tyrosine-protein kinase Src IC50 = 110.0 nM 6.96 Inhibitory activity against cytosolic c-Src -
Platelet-derived growth factor receptor (PDGFr) IC50 = 340.0 nM 6.47 Inhibition of Platelet-derived growth factor receptor (PDGFr) tyrosine kinase in... 9240345
Platelet-derived growth factor receptor beta IC50 = 340.0 nM 6.47 Ability to prevent phosphorylation of isolated mouse PDGF receptor beta 11384237
Platelet-derived growth factor receptor IC50 = 340.0 nM 6.47 Inhibitory activity against platelet-derived growth factor receptor -
Fibroblast growth factor receptor IC50 = 400.0 nM 6.4 Inhibition of Fibroblast growth factor receptor (FGFr) tyrosine kinase 9240345
Fibroblast growth factor receptor 1 IC50 = 400.0 nM 6.4 Ability to prevent phosphorylation of human fibroblast growth factor receptor 1 11384237
Fibroblast growth factor receptor 1 IC50 = 400.0 nM 6.4 Inhibition of the fibroblast growth factor receptor (FGFR1) -
Epidermal growth factor receptor IC50 = 610.0 nM 6.21 Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase 9240345

Literature References

PubMed DOI Target Context # Activities
9240345 10.1021/jm970367n Platelet-derived growth factor receptor (PDGFr) 1
9240345 10.1021/jm970367n Fibroblast growth factor receptor 1
9240345 10.1021/jm970367n Epidermal growth factor receptor 1
9240345 10.1021/jm970367n Proto-oncogene tyrosine-protein kinase Src 1
9240345 10.1021/jm970367n Insulin receptor 1
11384237 10.1021/jm0004291 Platelet-derived growth factor receptor beta 1
11384237 10.1021/jm0004291 Fibroblast growth factor receptor 1 1
11384237 10.1021/jm0004291 Proto-oncogene tyrosine-protein kinase Src 1
- 10.1016/S0960-894X(97)00445-9 Platelet-derived growth factor receptor 1
- 10.1016/S0960-894X(97)00445-9 Fibroblast growth factor receptor 1 1
- 10.1016/S0960-894X(97)00445-9 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine