Compound Detail
CHEMBL1585618
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Basic Information
| ChEMBL ID | CHEMBL1585618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WADUQFSVIHINPF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
2.77
ALogP
5
HBA
0
HBD
62.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.59
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.59 | 5.59 | 2580.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mucolipin-3 | EC50 | = | 2580.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 5100.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
Data from ChEMBL 36 via Core Engine