Compound Detail
CHEMBL518252
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C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Basic Information
| ChEMBL ID | CHEMBL518252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWVISVAMQJWJSZ-VKROHFNGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
5.29
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.88 | 6.88 | 132.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.57 | 6.57 | 272.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 132.0 | nM | 6.88 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 272.0 | nM | 6.57 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
Data from ChEMBL 36 via Core Engine