Compound Detail
CHEMBL4115301
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Cc1cc(/C=C/CCN2CCCC3(CCNCC3)C2)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C
Basic Information
| ChEMBL ID | CHEMBL4115301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVPGRGRCROHTBW-UULRIGGJSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
598.8
MW (Da)
2.48
ALogP
9
HBA
6
HBD
143.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 CHEMBL3988610 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.58 | 7.58 | 26.0 | 2 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.21 | 5.21 | 6100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Sgk1 | IC50 | = | 10.0 | nM | 8.0 | Sodium-Dependent Glucose Transporter (SGLT) Assay: The SGLT activity is measured... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 26.0 | nM | 7.58 | Sodium-Dependent Glucose Transporter (SGLT) Assay: The SGLT activity is measured... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 26.0 | nM | 7.58 | Sodium-Dependent Glucose Transporter (SGLT) Assay: The SGLT activity is measured... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 6100.0 | nM | 5.21 | Sodium-Dependent Glucose Transporter (SGLT) Assay: The SGLT activity is measured... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 6100.0 | nM | 5.21 | Sodium-Dependent Glucose Transporter (SGLT) Assay: The SGLT activity is measured... | - |
Data from ChEMBL 36 via Core Engine