Compound Detail
CHEMBL193392
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(Nc2c(C#N)cnc3cc(-c4cccc(CN5CCN(C)CC5)c4)sc23)c(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL193392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKFMKDARNQZUTE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
6.64
ALogP
7
HBA
1
HBD
64.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.68 | 6.8 | 21.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 21.0 | nM | 7.68 | Inhibitory activity against non-receptor tyrosine kinase Src in enzyme assay | 16125383 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory activity against non-receptor tyrosine kinase Src in cell assay | 16125383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16125383 | 10.1016/j.bmcl.2005.07.061 | Proto-oncogene tyrosine-protein kinase Src | 2 |
Data from ChEMBL 36 via Core Engine