Compound Detail
CHEMBL3686472
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Cc1cccc(-n2nc(NC(=O)[C@H]3CNC(=O)C3)cc2-c2cccc(C(C)(C)C)c2)c1
Basic Information
| ChEMBL ID | CHEMBL3686472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZMCHCADLWEGHP-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.22
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 8.85 | 8.85 | 1.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 1.4 | nM | 8.85 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1.4 | nM | 8.85 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
Data from ChEMBL 36 via Core Engine