Compound Detail
CHEMBL366029
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Basic Information
| ChEMBL ID | CHEMBL366029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KONODHZGTPQJHO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
6.69
ALogP
7
HBA
1
HBD
55.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.17 | 6.445 | 67.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 67.0 | nM | 7.17 | Inhibition of Src protein tyrosine kinase in LANCE format enzyme assay | 15916442 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of c-Src transformed rat fibroblast proliferation | 15916442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916442 | 10.1021/jm050175p | Proto-oncogene tyrosine-protein kinase Src | 2 |
Data from ChEMBL 36 via Core Engine