Compound Detail
CHEMBL3299036
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O=C(O)/C=C\CCCN1C(=O)C[C@]23CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)[C@@H]2CC4)[C@H]13
Basic Information
| ChEMBL ID | CHEMBL3299036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYVSFWIZDFYJPS-YCLMMPFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
594.8
MW (Da)
5.69
ALogP
5
HBA
3
HBD
109.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of chymotrypsin-like activity of rat liver proteasome using fluorogen... | 24902064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24902064 | 10.1021/np500290a | HeLa | 1 |
| 24902064 | 10.1021/np500290a | Unchecked | 1 |
| 24902064 | 10.1021/np500290a | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine