Compound Detail
CHEMBL3191011
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Basic Information
| ChEMBL ID | CHEMBL3191011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFTBQTIUODSOKR-OEAKJJBVSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
2.38
ALogP
11
HBA
3
HBD
150.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 4.94
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.2 | 4.905 | 6340.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.94 | 4.754 | 11439.0 | 5 |
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 | = | 6340.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| Unchecked | EC50 | = | 11439.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 13447.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
| Unchecked | EC50 | = | 14073.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 14986.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 24300.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Unchecked | EC50 | = | 50922.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
Data from ChEMBL 36 via Core Engine