Compound Detail
CHEMBL242299
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(CN1CC/C=C\C[C@H](NC(=O)c2nccc3ccccc23)C1=O)N[C@H]1CC(=O)OC1O
Basic Information
| ChEMBL ID | CHEMBL242299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNTWZNVYFBRCQZ-WEIWLGOWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
0.26
ALogP
7
HBA
3
HBD
137.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-1 CHEMBL4801 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-1 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of ICE | 17127070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17127070 | 10.1016/j.bmc.2006.11.011 | Caspase-1 | 1 |
Data from ChEMBL 36 via Core Engine