Compound Detail
CHEMBL3679708
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OC[C@H]1O[C@@H](c2cc(Cc3nnc(-c4ccco4)s3)c(Cl)cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3679708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMBSCPNRSQTKCW-LHKMKVQPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.3
MW (Da)
2.21
ALogP
9
HBA
4
HBD
129.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.75 | 7.75 | 17.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 17.6 | nM | 7.75 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 17.6 | nM | 7.75 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
Data from ChEMBL 36 via Core Engine