Compound Detail
CHEMBL218549
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 | CHEMBL218549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEUUCYCGMWGKGM-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
5.84
ALogP
6
HBA
1
HBD
63.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 8.43 | 8.43 | 3.7 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.22 | 8.2 | 6.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes | IC50 | = | 3.7 | nM | 8.43 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Tyrosine-protein kinase Yes | IC50 | = | 3.7 | nM | 8.43 | Inhibition of human recombinant Yes using PTK2 substrate incubated for 90 mins b... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human recombinant Src kinase | 16931012 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6.4 | nM | 8.19 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6.4 | nM | 8.19 | 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