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Compound Detail

CHEMBL260848

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Nc1ncnc2c1N=C(c1cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c1)CCN2

Basic Information

ChEMBL ID CHEMBL260848
Phase Preclinical
Structure Type MOL
InChI Key UQCJNMPNMQFILJ-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
4.66
ALogP
6
HBA
4
HBD
117.3
PSA (Ų)
0.47
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 C21H18F3N7O
MW 441.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.03

Activity Summary

IC50 4 meas. best 7.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 7.04 7.04 91.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.9 6.9 126.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.84 6.84 145.0 1
Vascular endothelial growth factor receptor 2
CHEMBL3337
IC50 6.1 6.1 790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18362070 10.1016/j.bmcl.2008.03.021 Vascular endothelial growth factor receptor 2 2
18362070 10.1016/j.bmcl.2008.03.021 Receptor-type tyrosine-protein kinase FLT3 1
18362070 10.1016/j.bmcl.2008.03.021 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine