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Compound Detail

CHEMBL7572

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CC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7572
Phase Preclinical
Structure Type MOL
InChI Key MCKSLUDHECENKP-UHFFFAOYSA-N
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
3.81
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.34
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 C19H14N2O3
MW 318.33
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.28

Activity Summary

IC50 7 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 7.16 6.33 70.0 3
Platelet-derived growth factor receptor alpha
CHEMBL2007
 IC50 7.0 7.0 100.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.7 6.7 200.0 1
Platelet-derived growth factor receptor
CHEMBL2095189
 IC50 6.52 6.52 300.0 1
Unchecked
CHEMBL612545
 IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 70.0 nM 7.16 Inhibition of Platelet-derived growth factor receptor beta kinase activity in Sf... 11855980
Platelet-derived growth factor receptor alpha IC50 = 100.0 nM 7.0 Inhibition of Platelet-derived growth factor receptor alpha autophosphorylation ... 11855980
Fibroblast growth factor receptor 1 IC50 = 200.0 nM 6.7 Inhibition of Fibroblast growth factor receptor 1 autophosphorylation in PAE cel... 11855980
Platelet-derived growth factor receptor IC50 = 300.0 nM 6.52 Antitumor activity measured by the inhibition of platelet-derived growth factor ... 11855980
Platelet-derived growth factor receptor beta IC50 = 300.0 nM 6.52 Inhibition of purified Platelet-derived growth factor receptor beta kinase activ... 11855980
Platelet-derived growth factor receptor beta IC50 = 4900.0 nM 5.31 Inhibition of Platelet-derived growth factor receptor beta autophosphorylation i... 11855980
Unchecked IC50 = 17000.0 nM 4.77 Inhibition of Protein kinase C isoforms epsilon and iota in vitro phosphorylatio... 11855980

Literature References

PubMed DOI Target Context # Activities
11855980 10.1021/jm010988n Platelet-derived growth factor receptor beta 3
11855980 10.1021/jm010988n Platelet-derived growth factor receptor 1
11855980 10.1021/jm010988n Platelet-derived growth factor receptor alpha 1
11855980 10.1021/jm010988n Fibroblast growth factor receptor 1 1
11855980 10.1021/jm010988n Epidermal growth factor receptor 1
11855980 10.1021/jm010988n Proto-oncogene tyrosine-protein kinase Src 1
11855980 10.1021/jm010988n Beta-adrenergic receptor kinase 1 1
11855980 10.1021/jm010988n Unchecked 1
11855980 10.1021/jm010988n Protein kinase C epsilon type 1

Data from ChEMBL 36 via Core Engine