Compound Detail
CHEMBL5085476
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
Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OC3CCNCC3(F)F)c12
Basic Information
| ChEMBL ID | CHEMBL5085476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGGNEMNJKLCCLN-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.0
MW (Da)
4.30
ALogP
7
HBA
3
HBD
121.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 9.12 | 8.96 | 0.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 0.76 | nM | 9.12 | Enzymatic Activity Assay: The compounds were tested for serum and glucocorticoid... | - |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant human SGK1 expressed in baculovirus expression system ... | 34931844 |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant human SGK1 expressed in baculovirus expression system ... | 34931844 |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 1.9 | nM | 8.72 | Enzymatic Activity Assay: The compounds were tested for serum and glucocorticoid... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34931844 | 10.1021/acs.jmedchem.1c01601 | Serine/threonine-protein kinase Sgk1 | 2 |
Data from ChEMBL 36 via Core Engine