Compound Detail
CHEMBL3690868
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CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2-c2ccccc2Cl)c1
Basic Information
| ChEMBL ID | CHEMBL3690868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSVZONACIUEKRS-PBHICJAKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.9
MW (Da)
5.02
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 8.89 | 8.89 | 1.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 1.3 | nM | 8.89 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1.3 | nM | 8.89 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
Data from ChEMBL 36 via Core Engine