Compound Detail
CHEMBL221236
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Basic Information
| ChEMBL ID | CHEMBL221236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFNDFNQIAHFSSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
5.48
ALogP
7
HBA
1
HBD
66.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human recombinant Src kinase | 16931012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931012 | 10.1016/j.bmcl.2006.08.035 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine