Compound Detail
CHEMBL5991451
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C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(-c2cncc(C(F)(F)F)c2)n1
Basic Information
| ChEMBL ID | CHEMBL5991451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMCUVQCYFFRBOT-HWPZZCPQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
531.4
MW (Da)
4.31
ALogP
6
HBA
2
HBD
98.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 8.07 | 8.07 | 8.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 8.6 | nM | 8.07 | Inhibitory Activity Assay: Human SGLT1-stably-expressing cell lines were seeded ... | - |
Data from ChEMBL 36 via Core Engine