Compound Detail
CHEMBL6031986
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CCN1CCC(O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3[C@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)C(CCC6C5C[C@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)C[C@@H]3O)C[C@@H]2O)OC(C)C1
Basic Information
| ChEMBL ID | CHEMBL6031986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCGZRYIGXYRVKQ-ZVOBLZRGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
792.0
MW (Da)
3.82
ALogP
13
HBA
4
HBD
165.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/potassium-transporting ATPase subunit alpha-2/beta-3 CHEMBL6066562 | Ki | 7.84 | 7.84 | 14.4 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-2/beta-2 CHEMBL6066561 | Ki | 7.79 | 7.79 | 16.4 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-2/beta-1 CHEMBL6066560 | Ki | 7.63 | 7.63 | 23.2 | 1 |
| Sodium/potassium-transporting ATPase subunit alpha-1/beta-1 CHEMBL6066559 | Ki | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine