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Compound Detail

CHEMBL2430198

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Cc1[nH]c2c(c1C(=O)NCCc1ccccn1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21

Basic Information

ChEMBL ID CHEMBL2430198
Phase Preclinical
Structure Type MOL
InChI Key OIXCGPYMAZCOHK-PYCFMQQDSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.03
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.55
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 C25H23FN4O2
MW 430.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.14

Activity Summary

IC50 3 meas. best 7.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.94 7.94 11.4 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 7.42 7.42 37.7 1
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.79 6.79 160.6 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