Compound Detail
CHEMBL3660000
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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc4ncnn4c3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3660000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTHHRYPNHBFNSJ-FTWQHDNSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.8
MW (Da)
0.49
ALogP
8
HBA
4
HBD
120.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
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 | 226.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 226.0 | nM | 6.65 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 226.0 | nM | 6.65 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
Data from ChEMBL 36 via Core Engine