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Compound Detail

CHEMBL2430267

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CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(OC)cc21

Basic Information

ChEMBL ID CHEMBL2430267
Phase Preclinical
Structure Type MOL
InChI Key WVQLFBCBFOFRHN-PYCFMQQDSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
3.60
ALogP
4
HBA
3
HBD
86.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N4O3
MW 436.56
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.75

Activity Summary

IC50 3 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.61 7.61 24.6 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 7.45 7.45 35.5 1
Platelet-derived growth factor receptor beta
CHEMBL1913
IC50 6.99 6.99 101.4 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