Compound Detail
CHEMBL62044
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Basic Information
| ChEMBL ID | CHEMBL62044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIVHFGGSZLLTNW-DHZHZOJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.8
MW (Da)
3.71
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 4.56 | 4.56 | 27300.0 | 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 | = | 27300.0 | nM | 4.56 | Inhibition of NLRP3 in PMA-differentiated human THP-1 cells assessed as inhibiti... | 39269610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871654 | 10.1016/s0960-894x(97)10215-3 | Unchecked | 3 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
| 39269610 | 10.1021/acs.jmedchem.4c01445 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine