Compound Detail
CHEMBL5661829
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Cn1c(=O)n([C@@H]2CC[C@@H](O)c3ccccc32)c2cc(-n3cnc4ccc(C#N)cc43)ccc21
Basic Information
| ChEMBL ID | CHEMBL5661829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZCIBYIKJOQODV-PXDATVDWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.97
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of JAK3 (unknown origin) in presence of ATP by radiometric assay | 27840070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27840070 | 10.1016/j.chembiol.2016.10.008 | Unchecked | 3 |
| 27840070 | 10.1016/j.chembiol.2016.10.008 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine