Compound Detail
CHEMBL3679691
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
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3nnc(-c4cnc(-c5ccncc5)s4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3679691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IILPTGBUIBISBL-GRARQNNCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.0
MW (Da)
2.48
ALogP
11
HBA
4
HBD
141.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.14 | 7.14 | 72.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 72.6 | nM | 7.14 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 72.6 | nM | 7.14 | Inhibition Assay: Inhibition assay using hSGLT2. | - |
Data from ChEMBL 36 via Core Engine