Compound Detail
CHEMBL5618500
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Basic Information
| ChEMBL ID | CHEMBL5618500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUQBIZMLDPRMTM-ONNFQVAWSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.73
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5559.4 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 1408.75 | ng/mg | Rattus norvegicus |
| MRT | 8.48 | hr | Rattus norvegicus |
| T1/2 | 4.52 | hr | Rattus norvegicus |
| Tmax | 1.63 | 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 | = | 360.0 | nM | 6.44 | Inhibition of human URAT1 transfected in HEK293 cells by measuring 14C-uric acid... | 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 | HK-2 | 2 |
| 39142150 | 10.1016/j.ejmech.2024.116753 | Solute carrier family 22 member 12 | 1 |
| 39142150 | 10.1016/j.ejmech.2024.116753 | Solute carrier family 2, facilitated glucose transporter member 9 | 1 |
Data from ChEMBL 36 via Core Engine