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Compound Detail

CHEMBL321966

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CC(C)(C)c1cc(/C=C2/C(=O)Nc3ccccc32)cc(Br)c1O

Basic Information

ChEMBL ID CHEMBL321966
Phase Preclinical
Structure Type MOL
InChI Key OVVMFLJCHGJUQK-MDWZMJQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
4.94
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18BrNO2
MW 372.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.12

Activity Summary

IC50 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL3337
IC50 4.33 4.33 46773.5 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