Compound Detail
CHEMBL217961
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
Basic Information
| ChEMBL ID | CHEMBL217961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJHIDASBEUSGFA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.9
MW (Da)
6.01
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.89 | 6.8767 | 130.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human recombinant Src kinase | 16931012 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 134.0 | nM | 6.87 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 134.0 | nM | 6.87 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
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