Compound Detail
CHEMBL221349
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
COc1ccc([C@H]2[C@H]3C[C@H](N(C)C)c4ccc(OC)cc4C3=NN2C(C)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL221349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFJZSMOSWDCURE-FUDKSRODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.63
ALogP
5
HBA
0
HBD
54.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 5100.0 | nM | 5.29 | Inhibition of TNF alpha-induced necroptosis in FADD-deficient variant human Jurk... | 17361994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17361994 | 10.1021/jm061016o | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine