Compound Detail
CHEMBL216586
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 | CHEMBL216586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDRQLLSZGBPUMT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
4.05
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.6 | 6.6 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human c-Src in NIH3T3 cells | 17064066 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human recombinant c-SRC catalytic domain using pEY (4:1) as substr... | 37683364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064066 | 10.1021/jm060434q | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 37683364 | 10.1016/j.ejmech.2023.115762 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine