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Compound Detail

CHEMBL3633292

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Nc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)c12

Basic Information

ChEMBL ID CHEMBL3633292
Phase Preclinical
Structure Type MOL
InChI Key XPKJNIVSAVXPHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
4.60
ALogP
3
HBA
4
HBD
95.8
PSA (Ų)
0.43
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 C20H16FN5O
MW 361.38
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 8.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.67 8.67 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26342134 10.1016/j.ejmech.2015.08.045 Vascular endothelial growth factor receptor 2 1
26342134 10.1016/j.ejmech.2015.08.045 NON-PROTEIN TARGET 1
26342134 10.1016/j.ejmech.2015.08.045 A549 1

Data from ChEMBL 36 via Core Engine