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Compound Detail

CHEMBL74646

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Fc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL74646
Phase Preclinical
Structure Type MOL
InChI Key FZROGUOMLPOFBV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
5.52
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14F4N4
MW 398.36
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.35

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.7 6.7 200.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10882357 10.1021/jm9909443 Vascular endothelial growth factor receptor 2 2
10882357 10.1021/jm9909443 Vascular endothelial growth factor receptor 1 1
10882357 10.1021/jm9909443 Platelet-derived growth factor receptor beta 1
10882357 10.1021/jm9909443 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine