Compound Detail
CHEMBL1383315
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Cc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1
Basic Information
| ChEMBL ID | CHEMBL1383315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MENIIXYXSODVSN-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
4.57
ALogP
5
HBA
2
HBD
118.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.66 | 7.66 | 22.0 | 2 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.84 | 5.84 | 1444.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.4 | 5.4 | 3976.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 5.32 | 5.32 | 4813.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 1444.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 3976.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 4813.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine