Compound Detail
CHEMBL372178
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COc1cc(Nc2c(C#N)cnc3cc(-c4csc(CN5CCN(C)CC5)n4)sc23)c(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL372178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUYJWANCDXJKDA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.5
MW (Da)
6.10
ALogP
9
HBA
1
HBD
77.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.25 | 6.395 | 56.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 56.0 | nM | 7.25 | Inhibitory activity against non-receptor tyrosine kinase Src in enzyme assay | 16125383 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2900.0 | nM | 5.54 | 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