Compound Detail
CHEMBL5279954
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COc1cc(-c2cc3c(c(=O)o2)C[C@@]24OB(O)O[C@]5(CC[C@@]2(C)O3)C(C)(C)C=CC(=O)[C@]45C)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL5279954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTBIVWCKRCXVNN-VJLHXPKFSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.7525 | 12000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Neuroprotective activity in C57BL/6J mouse primary neocortical neurons assessed ... | 36729068 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Neuroprotective activity in C57BL/6J mouse primary neocortical neurons assessed ... | 36729068 |
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Neuroprotective activity in C57BL/6J mouse primary neocortical neurons assessed ... | 36729068 |
| Unchecked | IC50 | = | 34000.0 | nM | 4.47 | Neuroprotective activity in C57BL/6J mouse primary neocortical neurons assessed ... | 36729068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36729068 | 10.1021/acs.jnatprod.2c01028 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine