Compound Detail
CHEMBL5834204
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COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@@]2(O)c2nc4n(c(=O)c2[C@@H]3c2ccccc2)CCC4)cc1
Basic Information
| ChEMBL ID | CHEMBL5834204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCIPQJTZJGUXND-MAJWKWKESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
3.88
ALogP
8
HBA
1
HBD
92.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 20000.0 | nM | 4.7 | Cell Surface Biotinylation Assay: Huh7.5.1 cells from four 150 mm plates were tr... | - |
Data from ChEMBL 36 via Core Engine