Compound Detail
CHEMBL1098376
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CCc1ccc(Cc2cc([C@@H]3OC4(CC4)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1
Basic Information
| ChEMBL ID | CHEMBL1098376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVXRZEAKFCKSGM-CZYKHXBRSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
2.83
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 112.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.59 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodiu... | 20149653 |
| Sodium/glucose cotransporter 1 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodiu... | 20149653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Rattus norvegicus | 4 |
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Sodium/glucose cotransporter 2 | 1 |
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Sodium/glucose cotransporter 1 | 1 |
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine