Compound Detail
CHEMBL158275
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Cn1c(SSc2c(C(=O)NCc3ccccc3)c3ccccc3n2C)c(C(=O)NCc2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL158275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQRADLHSHDAHEX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
590.8
MW (Da)
7.33
ALogP
6
HBA
2
HBD
68.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory concentration compound against EFGR tyrosine kinase obtained from pla... | 7837241 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory concentration of the against pp60v-src tyrosine kinase obtained from ... | 7837241 |
| NIH3T3 | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of swiss 3T3 mouse fibroblast proliferation | 7837241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837241 | 10.1021/jm00001a011 | Epidermal growth factor receptor | 1 |
| 7837241 | 10.1021/jm00001a011 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 7837241 | 10.1021/jm00001a011 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine