Compound Detail
CHEMBL5202573
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Basic Information
| ChEMBL ID | CHEMBL5202573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGPYOKZMSVIUGM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.45
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.22 | 7.22 | 60.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 519.57 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 341.49 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 351.47 | nM | Rattus norvegicus |
| F | 16.43 | % | Rattus norvegicus |
| T1/2 | 0.49 | hr | Rattus norvegicus |
| T1/2 | 0.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 60.5 | nM | 7.22 | Inhibition of rabbit stomach K+ stimulated H(+)/K(+) ATPase activity incubated f... | 35477061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35477061 | 10.1016/j.bmc.2022.116765 | ADMET | 6 |
| 35477061 | 10.1016/j.bmc.2022.116765 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine