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Compound Detail

CHEMBL392987

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Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL392987
Phase Preclinical
Structure Type MOL
InChI Key LZVWFFXHOYOAET-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
3.58
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F3N5O2
MW 391.35
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.40

Activity Summary

IC50 3 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.96 6.4 110.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 5.94 5.94 1150.0 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