Compound Detail
CHEMBL1642509
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OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1642509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIGXMDHXJHVCRH-QSWMPLQWSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.9
MW (Da)
2.16
ALogP
8
HBA
4
HBD
116.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 9.14 | 8.95 | 0.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 20.6 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 0.72 | nM | 9.14 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-... | 24900297 |
| Sodium/glucose cotransporter 2 | IC50 | = | 1.75 | nM | 8.76 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]... | 21193308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900297 | 10.1021/ml100256c | Rattus norvegicus | 4 |
| 21193308 | 10.1016/j.bmcl.2010.11.115 | Sodium/glucose cotransporter 2 | 1 |
| 24900297 | 10.1021/ml100256c | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine