Compound Detail
CHEMBL220798
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Basic Information
| ChEMBL ID | CHEMBL220798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCCBXUNIYZFBJX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
5.37
ALogP
5
HBA
1
HBD
59.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.85 | 6.85 | 140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human recombinant Src kinase | 16931012 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 140.0 | nM | 6.85 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 140.0 | nM | 6.85 | 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