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Compound Detail

CHEMBL1784725

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CCOC(=O)C1=C2C(=NC1=O)c1cccc3cccc2c13

Basic Information

ChEMBL ID CHEMBL1784725
Phase Preclinical
Structure Type MOL
InChI Key CEEHIKQKZBQZLL-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.50
ALogP
3
HBA
0
HBD
55.7
PSA (Ų)
0.63
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 C17H11NO3
MW 277.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.12

Activity Summary

IC50 6 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.13 7.13 74.0 1
T-24
CHEMBL614774
IC50 5.54 5.54 2900.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 5.5 5.5 3200.0 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 5.34 5.34 4600.0 1
BXPC-3
CHEMBL614530
IC50 5.33 5.33 4700.0 1
WI-38
CHEMBL614391
IC50 5.21 5.21 6200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21517068 10.1021/jm200258t Fibroblast growth factor receptor 1 4
21517068 10.1021/jm200258t Receptor tyrosine-protein kinase erbB-2 1
21517068 10.1021/jm200258t BXPC-3 1
21517068 10.1021/jm200258t WI-38 1
21517068 10.1021/jm200258t T-24 1
21517068 10.1021/jm200258t Insulin-like growth factor 1 receptor 1
21517068 10.1021/jm200258t Macrophage-stimulating protein receptor 1
21517068 10.1021/jm200258t Hepatocyte growth factor receptor 1
21517068 10.1021/jm200258t Ephrin type-B receptor 2 1
21517068 10.1021/jm200258t Ephrin type-A receptor 2 1
21517068 10.1021/jm200258t Tyrosine-protein kinase ABL1 1
21517068 10.1021/jm200258t Proto-oncogene tyrosine-protein kinase Src 1
21517068 10.1021/jm200258t Proto-oncogene tyrosine-protein kinase receptor Ret 1
21517068 10.1021/jm200258t Mast/stem cell growth factor receptor Kit 1
21517068 10.1021/jm200258t Platelet-derived growth factor receptor beta 1
21517068 10.1021/jm200258t Platelet-derived growth factor receptor alpha 1
21517068 10.1021/jm200258t Vascular endothelial growth factor receptor 2 1
21517068 10.1021/jm200258t Vascular endothelial growth factor receptor 1 1
21517068 10.1021/jm200258t Fibroblast growth factor receptor 4 1
21517068 10.1021/jm200258t Fibroblast growth factor receptor 3 1

Data from ChEMBL 36 via Core Engine