Compound Detail
CHEMBL127771
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Basic Information
| ChEMBL ID | CHEMBL127771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEWSFUURKWZZLP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.91
ALogP
9
HBA
1
HBD
104.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Src-transformed CHEMBL614302 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Src protein tyrosine kinase | 14552782 |
| Src-transformed | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Src-transformed cell proliferation | 14552782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552782 | 10.1016/j.bmcl.2003.07.001 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 14552782 | 10.1016/j.bmcl.2003.07.001 | Src-transformed | 1 |
Data from ChEMBL 36 via Core Engine