Compound Detail
CHEMBL474825
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CC(C)(C)OC(=O)N1C[C@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)C[C@H]1CO
Basic Information
| ChEMBL ID | CHEMBL474825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTBKOSKTJJXBTP-CABCVRRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.93
ALogP
8
HBA
3
HBD
126.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 25.12 | nM | 7.6 | Inhibition of c-Src | 18722033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722033 | 10.1016/j.ejmech.2008.07.002 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine