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Compound Detail

CHEMBL2430251

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Cc1[nH]c2c(c1C(=O)N1CCOCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21

Basic Information

ChEMBL ID CHEMBL2430251
Phase Preclinical
Structure Type MOL
InChI Key IVQYCPCHHYNLKB-CYVLTUHYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
3.13
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FN3O3
MW 395.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.07

Activity Summary

IC50 3 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.96 8.96 1.1 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 8.68 8.68 2.1 1
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 7.4 7.4 40.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23999040 10.1016/j.bmcl.2013.08.037 Mast/stem cell growth factor receptor Kit 1
23999040 10.1016/j.bmcl.2013.08.037 Platelet-derived growth factor receptor beta 1
23999040 10.1016/j.bmcl.2013.08.037 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine