Compound Detail
CHEMBL2159102
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C(C)C)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL2159102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDMDCYIKMZGDNP-UVPIGPOJSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
0.92
ALogP
7
HBA
5
HBD
128.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL5374 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 6.61 | 6.61 | 246.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL4316 | IC50 | 5.33 | 5.33 | 4650.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.22 | 5.22 | 6010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 67.0 | nM | 7.17 | Inhibition of rat SGLT1 expressed in COS7 cells assessed as reduction of [14C]-A... | 23062824 |
| Sodium/glucose cotransporter 1 | IC50 | = | 246.0 | nM | 6.61 | Inhibition of human SGLT1 expressed in COS7 cells assessed as reduction of [14C]... | 23062824 |
| Sodium/glucose cotransporter 2 | IC50 | = | 4650.0 | nM | 5.33 | Inhibition of rat SGLT2 expressed in COS7 cells assessed as reduction of [14C]-A... | 23062824 |
| Sodium/glucose cotransporter 2 | IC50 | = | 6010.0 | nM | 5.22 | Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction of [14C]... | 23062824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23062824 | 10.1016/j.bmc.2012.09.037 | Rattus norvegicus | 4 |
| 23062824 | 10.1016/j.bmc.2012.09.037 | ADMET | 2 |
| 23062824 | 10.1016/j.bmc.2012.09.037 | Unchecked | 2 |
| 23062824 | 10.1016/j.bmc.2012.09.037 | Sodium/glucose cotransporter 2 | 2 |
| 23062824 | 10.1016/j.bmc.2012.09.037 | Sodium/glucose cotransporter 1 | 2 |
| 23062824 | 10.1016/j.bmc.2012.09.037 | No relevant target | 1 |
| 23273606 | 10.1016/j.bmc.2012.11.041 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine