Compound Detail
CHEMBL169043
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
CC(C)(C)OC(=O)N1C[C@@H](n2cc(-c3ccc(O)cc3)c3c(N)ncnc32)C[C@@H]1CO
Basic Information
| ChEMBL ID | CHEMBL169043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTBKOSKTJJXBTP-LSDHHAIUSA-N |
2
Targets
2
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 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 24.0 | nM | 7.62 | Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine... | 11277536 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3300.0 | nM | 5.48 | Concentration required for inhibition of c-Src mediated phosphorylation of Fak i... | 11277536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277536 | 10.1016/s0960-894x(01)00080-4 | Proto-oncogene tyrosine-protein kinase Src | 2 |
Data from ChEMBL 36 via Core Engine