Compound Detail
CHEMBL1332684
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Basic Information
| ChEMBL ID | CHEMBL1332684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUPRYUDHUFLKFL-UHFFFAOYSA-N |
4
Targets
7
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
IC50 5 meas. best 5.79
EC50 2 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.79 | 5.3333 | 1610.0 | 3 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 5.73 | 5.73 | 1850.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.23 | 5.23 | 5944.0 | 1 |
| Saccharomyces cerevisiae CHEMBL361 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 1 CHEMBL1741214 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 1610.0 | nM | 5.79 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 1850.0 | nM | 5.73 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 3053.0 | nM | 5.51 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | EC50 | = | 5944.0 | nM | 5.23 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Saccharomyces cerevisiae | IC50 | = | 10200.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP1 in yeast usi... | - |
| NACHT, LRR and PYD domains-containing protein 1 | IC50 | = | 15300.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| HEK293 | IC50 | = | 19900.0 | nM | 4.7 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
Data from ChEMBL 36 via Core Engine