Compound Detail
CHEMBL455361
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C[C@]12CC[C@H](OC=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@]34C=CC(=O)O[C@H]3O4)C[C@H]3O[C@]132
Basic Information
| ChEMBL ID | CHEMBL455361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMYYMVGNLZUIOQ-PKLRSUGZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
3.53
ALogP
6
HBA
0
HBD
77.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MH60 CHEMBL614350 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MH60 | IC50 | = | 8900.0 | nM | 5.05 | Growth inhibition of IL6-dependent mouse MH60 cells after 72 hrs by MTT assay in... | 15620253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15620253 | 10.1021/np049950e | MH60 | 2 |
| 12141860 | 10.1021/np0200360 | KB | 1 |
| 12141860 | 10.1021/np0200360 | MH60 | 1 |
Data from ChEMBL 36 via Core Engine