Compound Detail
CHEMBL2430252
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Cc1[nH]c2c(c1C(=O)N1CCC(N3CCCCC3)CC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21
Basic Information
| ChEMBL ID | CHEMBL2430252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDZYCUZNQKCOGY-DAFNUICNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.75
ALogP
3
HBA
2
HBD
68.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.39 | 7.39 | 40.7 | 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 | = | 7.8 | nM | 8.11 | Inhibition of c-KIT (unknown origin) | 23999040 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of VEGFR2 (unknown origin) | 23999040 |
| Platelet-derived growth factor receptor beta | IC50 | = | 40.7 | nM | 7.39 | Inhibition of PDGFR-beta (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