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Compound Detail

CHEMBL241667

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Cn1cnc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL241667
Phase Preclinical
Structure Type MOL
InChI Key YPRPVGHSVKPNAX-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.70
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F3N5O
MW 375.35
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.61

Activity Summary

IC50 3 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.26 6.18 550.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17188873 10.1016/j.bmcl.2006.11.087 Vascular endothelial growth factor receptor 2 2
17188873 10.1016/j.bmcl.2006.11.087 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine