Compound Detail
CHEMBL1672796
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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccsc4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1672796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSUWZLJXJGMCFM-QSWMPLQWSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
2.63
ALogP
8
HBA
4
HBD
103.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 3392.29 | nM | Rattus norvegicus |
| F | 15.0 | % | Rattus norvegicus |
| T1/2 | 2.51 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 0.772 | nM | 9.11 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-... | 24900297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900297 | 10.1021/ml100256c | Rattus norvegicus | 7 |
| 24900297 | 10.1021/ml100256c | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine