Compound Detail
CHEMBL3654335
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[O-][S+]1CC(CCOc2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL3654335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIBCPVDKWIYQRU-MQUDJZJPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.0
MW (Da)
1.59
ALogP
7
HBA
4
HBD
122.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.17 | 8.17 | 6.8 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.99 | 5.99 | 1020.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 6.8 | nM | 8.17 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 6.8 | nM | 8.17 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1020.0 | nM | 5.99 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1020.0 | nM | 5.99 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
Data from ChEMBL 36 via Core Engine