Compound Detail
CHEMBL436516
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Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nnc2c1
Basic Information
| ChEMBL ID | CHEMBL436516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLYYVIUHRKFXFH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
4.30
ALogP
7
HBA
1
HBD
91.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.09 | 7.09 | 81.3 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.5 | 6.4933 | 320.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 81.3 | nM | 7.09 | Inhibition of human recombinant Yes using PTK2 peptide substrate incubated for 6... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human recombinant Src kinase | 16931012 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 322.0 | nM | 6.49 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 322.0 | nM | 6.49 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931012 | 10.1016/j.bmcl.2006.08.035 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine