Compound Detail
CHEMBL218042
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Basic Information
| ChEMBL ID | CHEMBL218042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYVBTDSVIPSNGN-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
5.05
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 6.08 | 6.08 | 822.0 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.82 | 5.82 | 1500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes | IC50 | = | 822.0 | nM | 6.08 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Tyrosine-protein kinase Yes | IC50 | = | 822.0 | nM | 6.08 | Inhibition of human recombinant Yes using PTK2 substrate incubated for 90 mins b... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human recombinant Src kinase | 16931012 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1520.0 | nM | 5.82 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1520.0 | nM | 5.82 | 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