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Compound Detail

CHEMBL311318

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C=CCOc1ccc2c(c1)ncn2-c1ccccc1

Basic Information

ChEMBL ID CHEMBL311318
Phase Preclinical
Structure Type MOL
InChI Key GVNFMUIESFTDEE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.59
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O
MW 250.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.31

Activity Summary

IC50 2 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.21 6.21 610.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.46 4.46 35000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10395478 10.1021/jm980658b Platelet-derived growth factor receptor beta 1
10395478 10.1021/jm980658b Fibroblast growth factor receptor 1 1
10395478 10.1021/jm980658b Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine