Compound Detail
CHEMBL1381195
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Basic Information
| ChEMBL ID | CHEMBL1381195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIIFMUKIKSWWKP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1619018 |
| Active Moiety | CHEMBL1619018 |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.44
ALogP
4
HBA
2
HBD
70.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.92
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.92 | 5.76 | 1217.0 | 2 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.34 | 5.33 | 4580.0 | 2 |
| H4 CHEMBL1075452 | EC50 | 4.69 | 4.69 | 20386.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1217.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... | - |
| Unchecked | EC50 | = | 2495.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 4580.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 4740.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| H4 | EC50 | = | 20386.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine