Compound Detail
CHEMBL3918717
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Cc1nn(C)cc1S(=O)(=O)Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4c(C)nn(C)c4Cl)cc3)cnc12
Basic Information
| ChEMBL ID | CHEMBL3918717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URNBQCLDBPNBOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
577.0
MW (Da)
2.36
ALogP
11
HBA
3
HBD
182.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL2343 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 1050.0 | nM | 5.98 | Enzymatic Activity Assay: The enzyme reaction was carried out in a buffer contai... | - |
Data from ChEMBL 36 via Core Engine