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Compound Detail

CHEMBL313746

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O=C1Nc2cc(-c3ccccc3)ccc2/C1=C/c1cc2c([nH]1)CCCC2

Basic Information

ChEMBL ID CHEMBL313746
Phase Preclinical
Structure Type MOL
InChI Key BCEALSZPAPLOJG-ZHZULCJRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
5.05
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2O
MW 340.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 4.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 4.15 4.15 70600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10893303 10.1021/jm9906116 HUVEC 4
10893303 10.1021/jm9906116 Vascular endothelial growth factor receptor 2 1
10893303 10.1021/jm9906116 Fibroblast growth factor receptor 1 1
10893303 10.1021/jm9906116 Platelet-derived growth factor receptor beta 1
10893303 10.1021/jm9906116 Proto-oncogene tyrosine-protein kinase Src 1
10893303 10.1021/jm9906116 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine