Compound Detail
CHEMBL4637927
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C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](CO)CC/C=C(/C)CO)CC[C@@]24C)C[C@]13CCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL4637927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRHHREGCSWSEHQ-KDVVVRPPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.37
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NRK-52E CHEMBL4483282 | EC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NRK-52E | EC50 | = | 11500.0 | nM | 4.94 | Cytoprotective activity against LPS-induced NRK-52E cells assessed as reduction ... | 32141747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32141747 | 10.1021/acs.jnatprod.9b01119 | NRK-52E | 1 |
Data from ChEMBL 36 via Core Engine