Compound Detail
CHEMBL3695072
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CC(C)Oc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)ccc1F
Basic Information
| ChEMBL ID | CHEMBL3695072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKQQWXDNQDROPG-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
4.62
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 8.63 | 8.63 | 2.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 2.35 | nM | 8.63 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 2.35 | nM | 8.63 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
Data from ChEMBL 36 via Core Engine