Compound Detail
CHEMBL1825004
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CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(=O)CN6CCCCC6)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL1825004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQJYLYLLMFWDRQ-DWTAHWIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
581.9
MW (Da)
8.83
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 460.0 | nM | 6.34 | Inhibition of TPA-induced EBV-early antigen activation in human Raji cells asses... | 21620532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21620532 | 10.1016/j.ejmech.2011.04.062 | Unchecked | 5 |
| 21620532 | 10.1016/j.ejmech.2011.04.062 | Raji | 1 |
Data from ChEMBL 36 via Core Engine