Compound Detail
CHEMBL221742
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Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(NS(=O)(=O)CCN4CCCC4)cc3)nnc2c1
Basic Information
| ChEMBL ID | CHEMBL221742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXYPMYUQQFJBDW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.7
MW (Da)
5.20
ALogP
7
HBA
2
HBD
100.1
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human recombinant Src kinase | 16931012 |
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