Compound Detail
CHEMBL5086767
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O=C(NCCn1cnnc1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
Basic Information
| ChEMBL ID | CHEMBL5086767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWOBHUZLPZRSLK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.4
MW (Da)
3.75
ALogP
8
HBA
3
HBD
147.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 8.52 | 7.365 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant human SGK1 expressed in baculovirus expression system ... | 34931844 |
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 609.0 | nM | 6.21 | Inhibition of recombinant human SGK1 expressed in baculovirus expression system ... | 34931844 |
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