Compound Detail
CHEMBL3358576
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Basic Information
| ChEMBL ID | CHEMBL3358576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCGRJYGMUYWMDS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.2
MW (Da)
4.12
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.1 | 6.9 | 79.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 79.43 | nM | 7.1 | Antipyroptotic activity in PMA-differentiated and LPS-primed human THP1 cells as... | 25418070 |
| NON-PROTEIN TARGET | EC50 | = | 199.53 | nM | 6.7 | Antipyroptotic activity in PMA-differentiated and LPS-primed human THP1 cells as... | 25418070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25418070 | 10.1021/jm501072b | NON-PROTEIN TARGET | 4 |
| 28410442 | 10.1021/acs.jmedchem.6b01624 | THP-1 | 2 |
| 28410442 | 10.1021/acs.jmedchem.6b01624 | NACHT, LRR and PYD domains-containing protein 3 | 2 |
| 25418070 | 10.1021/jm501072b | ADMET | 1 |
| 28410442 | 10.1021/acs.jmedchem.6b01624 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine