Compound Detail
CHEMBL503375
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Basic Information
| ChEMBL ID | CHEMBL503375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWQGMMRHTWIOGH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.62
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 4.83 | 4.83 | 14700.0 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 4.16 | 4.16 | 68480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-d... | 28098449 |
| Sodium/glucose cotransporter 2 | IC50 | = | 14700.0 | nM | 4.83 | Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-d... | 28098449 |
| Mushroom tyrosinase | IC50 | = | 68480.0 | nM | 4.16 | Inhibition of monophenolase activity of mushroom tyrosinase using L-Tyrosine sub... | 27720556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27720556 | 10.1016/j.bmc.2016.09.054 | B16-F10 | 3 |
| 521818 | 10.1021/np50005a008 | NON-PROTEIN TARGET | 2 |
| 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 |
| 27720556 | 10.1016/j.bmc.2016.09.054 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine