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Compound Detail

CHEMBL314798

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C/C(=C1\C(=O)Nc2ccccc21)c1ccc(N2CCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL314798
Phase Preclinical
Structure Type MOL
InChI Key DNHCCOIAADOQFR-HMMYKYKNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.56
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.82
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 C21H22N2O
MW 318.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.61

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10956210 10.1021/jm990609e Vascular endothelial growth factor receptor 2 1
9651163 10.1021/jm980123i Platelet-derived growth factor receptor beta 1
9651163 10.1021/jm980123i Vascular endothelial growth factor receptor 1 1
9651163 10.1021/jm980123i Epidermal growth factor receptor 1
9651163 10.1021/jm980123i Receptor tyrosine-protein kinase erbB-2 1
9651163 10.1021/jm980123i Insulin-like growth factor 1 receptor 1

Data from ChEMBL 36 via Core Engine