Compound Detail
CHEMBL1398317
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Basic Information
| ChEMBL ID | CHEMBL1398317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCXCRDPOWBLPHN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
2.95
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.47 | 5.47 | 3420.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.34 | 5.1 | 4540.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 3420.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 4540.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 13700.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
Data from ChEMBL 36 via Core Engine