Compound Detail
CHEMBL4760558
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CS(=O)(=O)Nc1cc(C#N)cc(-c2c[nH]c3ncc(-c4cccc(C(=O)NC5CC5)c4)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL4760558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBRJODZZTNGZGH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
4.03
ALogP
5
HBA
3
HBD
127.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase CHEMBL4527 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase | IC50 | = | 0.12 | nM | 9.92 | Inhibition of TNIK (unknown origin) | 33340663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33340663 | 10.1016/j.bmcl.2020.127749 | TRAF2 and NCK-interacting protein kinase | 1 |
Data from ChEMBL 36 via Core Engine