Compound Detail
CHEMBL61278
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
Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(C(F)(F)F)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(C(F)(F)F)ccc21
Basic Information
| ChEMBL ID | CHEMBL61278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSEZITPLLAUQOF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
698.7
MW (Da)
10.01
ALogP
6
HBA
2
HBD
68.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.24 | 5.24 | 5800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of tyrosine phosphorylation activity of the pp60v-src tyrosine kinase... | 8027985 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 5800.0 | nM | 5.24 | Inhibitory concentration of the against pp60v-src tyrosine kinase obtained from ... | 7837241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027985 | 10.1021/jm00039a016 | Epidermal growth factor receptor | 1 |
| 8027985 | 10.1021/jm00039a016 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 7837241 | 10.1021/jm00001a011 | Epidermal growth factor receptor | 1 |
| 7837241 | 10.1021/jm00001a011 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine