Compound Detail
CHEMBL3654333
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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCC4(F)COC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3654333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKPHZHJFTJHMBH-ZQGJOIPISA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.9
MW (Da)
1.95
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.12 | 8.12 | 7.5 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.92 | 5.92 | 1193.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 7.5 | nM | 8.12 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 7.5 | nM | 8.12 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1193.0 | nM | 5.92 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1193.0 | nM | 5.92 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
Data from ChEMBL 36 via Core Engine