Compound Detail
CHEMBL3654331
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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(CCC4COC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3654331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILTKKQIHCCHUPK-SJSRKZJXSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.9
MW (Da)
2.02
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.07 | 8.07 | 8.5 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.98 | 5.98 | 1055.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 8.5 | nM | 8.07 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 8.5 | nM | 8.07 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1055.0 | nM | 5.98 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1055.0 | nM | 5.98 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
Data from ChEMBL 36 via Core Engine