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Compound Detail

CHEMBL320186

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CCc1c(/C=C2/C(=O)Nc3ccccc32)[nH]c(C)c1C

Basic Information

ChEMBL ID CHEMBL320186
Phase Preclinical
Structure Type MOL
InChI Key HKJUJLRPOAIDLV-NTEUORMPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.69
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.80
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 C17H18N2O
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL3337
IC50 6.85 6.85 141.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10956210 10.1021/jm990609e Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine