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Compound Detail

CHEMBL250471

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O=C(Nc1ccc(Cl)cc1)c1cc(Br)cnc1NCc1ccncc1

Basic Information

ChEMBL ID CHEMBL250471
Phase Preclinical
Structure Type MOL
InChI Key GPFCIUJVYMETBL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.7
MW (Da)
4.76
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.63
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 C18H14BrClN4O
MW 417.69
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.79

Activity Summary

Ki 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 Ki = 490.0 nM 6.31 Inhibition of phosphorylated-Kdr after 30 mins 17869515

Literature References

PubMed DOI Target Context # Activities
17869515 10.1016/j.bmcl.2007.07.077 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine