Compound Detail
CHEMBL3695109
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COCCOc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL3695109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OATVXPBVVCMMSS-APWZRJJASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
564.5
MW (Da)
4.25
ALogP
7
HBA
2
HBD
103.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 8.77 | 8.77 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 1.7 | nM | 8.77 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1.7 | nM | 8.77 | Inhibition Assay: The stable cell line expressing human SGLT1 was seeded at 5x10... | - |
Data from ChEMBL 36 via Core Engine