Compound Detail
CHEMBL2430254
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CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21
Basic Information
| ChEMBL ID | CHEMBL2430254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNFMAXYFBGIDKY-FXBPSFAMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.50
ALogP
5
HBA
3
HBD
120.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.88 | 7.88 | 13.3 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.59 | 7.59 | 25.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 6.9 | nM | 8.16 | Inhibition of c-KIT (unknown origin) | 23999040 |
| Platelet-derived growth factor receptor beta | IC50 | = | 13.3 | nM | 7.88 | Inhibition of PDGFR-beta (unknown origin) | 23999040 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 25.7 | nM | 7.59 | Inhibition of VEGFR2 (unknown origin) | 23999040 |
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