Compound Detail
CHEMBL111282
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Basic Information
| ChEMBL ID | CHEMBL111282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBDLWXMHDBYOLA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.05
ALogP
6
HBA
1
HBD
96.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095173 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.66 | hr | - |
| T1/2 | 38.51 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of [14C]aminopyrine (AP) accumulation stimulated by dibutyryl cyclic ... | 9022797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022797 | 10.1021/jm9605593 | Potassium-transporting ATPase | 2 |
| 9022797 | 10.1021/jm9605593 | Rattus norvegicus | 2 |
| 9022797 | 10.1021/jm9605593 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine