Compound Detail
CHEMBL141888
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C[C@]12CCC3C(CC[C@@H]4C[C@@H](SCCCN)CC[C@]34C)C1=CC[C@@H]2C1=CC(=O)OC1
Basic Information
| ChEMBL ID | CHEMBL141888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFJNOMLQQIBVAY-XDUYPSCDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.7
MW (Da)
5.50
ALogP
4
HBA
1
HBD
52.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1584.89 | nM | 5.8 | Displacement of [3H]ouabain binding from Na+,K+ -ATPase receptor isolated from d... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00039-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine