Compound Detail
CHEMBL601465
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OC[C@H]1OC(c2ccc(Cl)c(Cc3nnc(-c4ccncc4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL601465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHRXRPCGZDBXDJ-ILNABNIYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.9
MW (Da)
1.36
ALogP
9
HBA
4
HBD
128.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.28 | 7.28 | 53.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 53.0 | nM | 7.28 | Inhibition of human recombinant SGLT2 expressed in CHO cells by liquid scintilla... | 20181486 |
| Sodium/glucose cotransporter 2 | IC50 | = | 53.0 | nM | 7.28 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 53.0 | nM | 7.28 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20181486 | 10.1016/j.bmc.2010.01.073 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine