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Compound Detail

CHEMBL2430259

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Cc1[nH]c2c(c1C(=O)NCCN1CCCCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21

Basic Information

ChEMBL ID CHEMBL2430259
Phase Preclinical
Structure Type MOL
InChI Key NUAJOPNJJAYNJG-PYCFMQQDSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.88
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29FN4O2
MW 436.53
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.09

Activity Summary

IC50 3 meas. best 8.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.37 8.37 4.3 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 8.24 8.24 5.8 1
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 7.71 7.71 19.4 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