Compound Detail
CHEMBL1727095
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Basic Information
| ChEMBL ID | CHEMBL1727095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLFAKULROPPGOA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.39
ALogP
6
HBA
2
HBD
83.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.63 | 5.51 | 2330.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.46 | 5.46 | 3430.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.31 | 5.31 | 4880.0 | 1 |
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 | = | 2330.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 3430.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 4070.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 4880.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine