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Compound Detail

CHEMBL432738

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CCNC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432738
Phase Preclinical
Structure Type MOL
InChI Key BXEDCNVFSZUBPI-UHFFFAOYSA-N
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
3.72
ALogP
5
HBA
3
HBD
105.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14Cl2N6O
MW 377.24
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.10

Activity Summary

IC50 8 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 7.11 7.105 77.0 2
Fibroblast growth factor receptor
CHEMBL2095217
 IC50 6.89 6.89 130.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.89 6.89 130.0 1
Platelet-derived growth factor receptor (PDGFr)
CHEMBL2111344
 IC50 5.89 5.66 1300.0 2
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 5.89 5.89 1300.0 1
Epidermal growth factor receptor
CHEMBL203
 IC50 5.87 5.87 1360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 77.0 nM 7.11 Inhibition of C-src tyrosine kinase 9240345
Proto-oncogene tyrosine-protein kinase Src IC50 = 80.0 nM 7.1 Inhibition of the phosphorylation of a random glutamate-tyrosine (4:1) copolymer... 11063616
Fibroblast growth factor receptor IC50 = 130.0 nM 6.89 Inhibition of Fibroblast growth factor receptor (FGFr) tyrosine kinase 9240345
Fibroblast growth factor receptor 1 IC50 = 130.0 nM 6.89 Inhibition of the phosphorylation of a random glutamate-tyrosine (4:1) copolymer... 11063616
Platelet-derived growth factor receptor (PDGFr) IC50 = 1300.0 nM 5.89 Inhibition of Platelet-derived growth factor receptor (PDGFr) tyrosine kinase in... 9240345
Platelet-derived growth factor receptor beta IC50 = 1300.0 nM 5.89 Inhibition of the phosphorylation of a random glutamate-tyrosine (4:1) copolymer... 11063616
Epidermal growth factor receptor IC50 = 1360.0 nM 5.87 Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase 9240345
Platelet-derived growth factor receptor (PDGFr) IC50 = 3730.0 nM 5.43 Inhibition of platelet derived growth factor (PDGF) stimulated PDGF-receptor aut... 9240345

Literature References

PubMed DOI Target Context # Activities
9240345 10.1021/jm970367n Platelet-derived growth factor receptor (PDGFr) 2
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
11063616 10.1021/jm000161d Fibroblast growth factor receptor 1 1
11063616 10.1021/jm000161d Platelet-derived growth factor receptor beta 1
11063616 10.1021/jm000161d Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine