Compound Detail
CHEMBL5618375
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
Basic Information
| ChEMBL ID | CHEMBL5618375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPTBYJKFISSLFG-NTEUORMPSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
451.3
MW (Da)
5.88
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 9 CHEMBL2052034 | IC50 | 5.35 | 5.35 | 4470.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 18708.4 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 2253.67 | ng/mg | Rattus norvegicus |
| MRT | 10.15 | hr | Rattus norvegicus |
| T1/2 | 7.88 | hr | Rattus norvegicus |
| Tmax | 1.15 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 12 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of human URAT1 transfected in HEK293 cells by measuring 14C-uric acid... | 39142150 |
| Solute carrier family 2, facilitated glucose transporter member 9 | IC50 | = | 4470.0 | nM | 5.35 | Inhibition of GLUT9 (unknown origin) overexpressed in uric acid-induced HEK293 c... | 39142150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39142150 | 10.1016/j.ejmech.2024.116753 | ADMET | 8 |
| 39142150 | 10.1016/j.ejmech.2024.116753 | Mus musculus | 6 |
| 39142150 | 10.1016/j.ejmech.2024.116753 | Solute carrier family 2, facilitated glucose transporter member 9 | 2 |
| 39142150 | 10.1016/j.ejmech.2024.116753 | HK-2 | 2 |
| 39142150 | 10.1016/j.ejmech.2024.116753 | Solute carrier family 22 member 12 | 1 |
Data from ChEMBL 36 via Core Engine