Compound Detail
CHEMBL4074544
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Basic Information
| ChEMBL ID | CHEMBL4074544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYIWUMYLJUWYIA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
3.02
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 4.78 | 4.78 | 16700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 15100.0 | nM | 4.82 | Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-d... | 28098449 |
| Sodium/glucose cotransporter 2 | IC50 | = | 16700.0 | nM | 4.78 | Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-d... | 28098449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Sodium/glucose cotransporter 2 | 2 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Sodium/glucose cotransporter 1 | 2 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | HEK293 | 1 |
| 28098449 | 10.1021/acs.jmedchem.6b01134 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine