Compound Detail
CHEMBL3639785
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COc1c(Cc2nnc(-c3ccco3)s2)cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL3639785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKNIJZWNJLTQEZ-SQKWCZRTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
2.07
ALogP
10
HBA
4
HBD
138.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.97 | 7.97 | 10.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 10.7 | nM | 7.97 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 10.7 | nM | 7.97 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
Data from ChEMBL 36 via Core Engine