Compound Detail
CHEMBL5425624
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
CCN1CCC[C@H](Nc2nc3nc(-c4c(C)cc(Cl)cc4O)ccc3o2)C1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5425624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFDJTTCYJWHIEZ-UQKRIMTDSA-N |
| Parent Compound | CHEMBL5499645 |
| Active Moiety | CHEMBL5499645 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
4.45
ALogP
6
HBA
2
HBD
74.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of NLRP3 in human THP-1 cells assessed as reduction in pyroptosis pre... | 37465294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37465294 | 10.1021/acsmedchemlett.3c00236 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine