Compound Detail
CHEMBL3686475
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O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3Cl)n2)CN1
Basic Information
| ChEMBL ID | CHEMBL3686475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOUQBYGSDZQEKK-CYBMUJFWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.8
MW (Da)
4.17
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
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