Compound Detail
CHEMBL126930
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@@H](C/C=N/OCCN)[C@@]1(C)CCC2C(CC[C@@H]3C[C@@H](O)CC[C@]23C)C1=O
Basic Information
| ChEMBL ID | CHEMBL126930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQVQTKIMPALRSS-DSTMVGJDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
3.93
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/potassium-transporting ATPase CHEMBL2095186 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/potassium-transporting ATPase | IC50 | = | 40.0 | nM | 7.4 | Binding affinity towards Na+,K+ -ATPase isolated from dog kidney. | 11689068 |
| Cavia porcellus | EC50 | = | 1500.0 | nM | 5.82 | In vitro increase in contractile force of the guine pig atrium. | 11689068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689068 | 10.1021/jm0109208 | Sodium/potassium-transporting ATPase | 1 |
| 11689068 | 10.1021/jm0109208 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine