Compound Detail
CHEMBL3659997
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N#CC1(c2ccc3nn(Cc4cc([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)ccc4Cl)c(=O)n3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3659997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVJGKCOSALLNCU-RQXATKFSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.9
MW (Da)
0.27
ALogP
10
HBA
4
HBD
153.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.65 | 6.65 | 223.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 223.0 | nM | 6.65 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 223.0 | nM | 6.65 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
Data from ChEMBL 36 via Core Engine