Compound Detail
CHEMBL108285
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Basic Information
| ChEMBL ID | CHEMBL108285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICSDELHOOGLSSM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.06
ALogP
7
HBA
1
HBD
105.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095173 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Potassium-transporting ATPase CHEMBL2095228 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.02 | hr | - |
| T1/2 | 0.03 | hr | - |
| T1/2 | 0.29 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of [14C]aminopyrine (AP) accumulation stimulated by dibutyryl cyclic ... | 9022797 |
| Potassium-transporting ATPase | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of porcine gastric H+/K+ ATPase | 9022797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9022797 | 10.1021/jm9605593 | ADMET | 3 |
| 9022797 | 10.1021/jm9605593 | Potassium-transporting ATPase | 2 |
| 9022797 | 10.1021/jm9605593 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine