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Compound Detail

CHEMBL388936

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Cc1cc2c(cc3c4c(cccc42)NC3=O)[nH]1

Basic Information

ChEMBL ID CHEMBL388936
Phase Preclinical
Structure Type MOL
InChI Key ACTSTIBGWRUXHI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
3.20
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O
MW 222.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.07

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 1000.0 nM 6.0 Inhibition of KDR 17306530

Literature References

PubMed DOI Target Context # Activities
17306530 10.1016/j.bmcl.2007.01.089 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine