Compound Detail
CHEMBL4467325
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4467325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWZFLHHIQVOKDV-JHHOYTOVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.7
MW (Da)
4.15
ALogP
5
HBA
5
HBD
118.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NRK-52E CHEMBL4483282 | EC50 | 6.93 | 6.93 | 117.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NRK-52E | EC50 | = | 117.5 | nM | 6.93 | Cytoprotective activity against LPS-induced NRK-52E cells assessed as reduction ... | 32141747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31429278 | 10.1021/acs.jnatprod.9b00463 | Haemophilus influenzae | 3 |
| 32141747 | 10.1021/acs.jnatprod.9b01119 | NRK-52E | 1 |
Data from ChEMBL 36 via Core Engine