Compound Detail
CHEMBL390479
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Cc1cccc(C)c1-c1cc(NS(C)(=O)=O)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Basic Information
| ChEMBL ID | CHEMBL390479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEMPBTUCYHTLFL-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
4.90
ALogP
8
HBA
2
HBD
109.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.8 | 7.8 | 15.7 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.69 | 7.6867 | 20.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 15.7 | nM | 7.8 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 15.7 | nM | 7.8 | Inhibition of human recombinant Yes using PTK2 peptide substrate incubated for 6... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 20.4 | nM | 7.69 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 20.4 | nM | 7.69 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 21.0 | nM | 7.68 | Inhibition of Src | 17113292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17113292 | 10.1016/j.bmcl.2006.11.006 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine