Compound Detail
CHEMBL1447669
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Basic Information
| ChEMBL ID | CHEMBL1447669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQWYLULTMMYNLR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
2.64
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.52
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.52 | 5.52 | 3002.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.36 | 5.225 | 4350.0 | 2 |
| H4 CHEMBL1075452 | EC50 | 4.72 | 4.72 | 19139.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3002.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 4350.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 8190.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| H4 | EC50 | = | 19139.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine