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Compound Detail

CHEMBL193912

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N#Cc1ccccc1Nc1ncc(-c2ccccc2)o1

Basic Information

ChEMBL ID CHEMBL193912
Phase Preclinical
Structure Type MOL
InChI Key FPMCYJLZCOBPEC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
3.96
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O
MW 261.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.25

Activity Summary

IC50 2 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.06 6.06 870.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 4.84 4.84 14400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15743202 10.1021/jm049538w Vascular endothelial growth factor receptor 2 1
15743202 10.1021/jm049538w Vascular endothelial growth factor receptor 1

Data from ChEMBL 36 via Core Engine