Compound Detail
CHEMBL498280
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Basic Information
| ChEMBL ID | CHEMBL498280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULMATGCZQYPUGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.02
ALogP
5
HBA
1
HBD
51.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 58.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 18.0 | % | Rattus norvegicus |
| T1/2 | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 398.11 | nM | 6.4 | Inhibition of H+/K+ ATPase | 19467868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19467868 | 10.1016/j.bmcl.2009.04.127 | Rattus norvegicus | 6 |
| 19467868 | 10.1016/j.bmcl.2009.04.127 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine