Compound Detail
CHEMBL153638
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Basic Information
| ChEMBL ID | CHEMBL153638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVIDGZASLPEQDJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
4.72
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Ki 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase alpha chain 1 CHEMBL3919 | Ki | 6.08 | 6.08 | 838.0 | 1 |
| Potassium-transporting ATPase alpha chain 1 CHEMBL3919 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase alpha chain 1 | Ki | = | 838.0 | nM | 6.08 | Compound was evaluated for its ability to inhibit K+-stimulated ATPase activity | - |
| Potassium-transporting ATPase alpha chain 1 | IC50 | = | 2200.0 | nM | 5.66 | Ability to inhibit H+/K+ stimulated ATPase activity in lympholised gastric vesic... | - |
| Unchecked | IC50 | = | 44000.0 | nM | 4.36 | Ability to inhibit Na(+)/K(+)-stimulated ATPase activity in hog kidney | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00069-6 | Potassium-transporting ATPase alpha chain 1 | 4 |
| - | 10.1016/0960-894X(95)00069-6 | Rattus norvegicus | 1 |
| - | 10.1016/0960-894X(95)00069-6 | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00069-6 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine