Compound Detail
CHEMBL1520311
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Basic Information
| ChEMBL ID | CHEMBL1520311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUGXUOXPRRBCSE-YRNVUSSQSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.84
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.76 | 5.405 | 1720.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.95 | 4.6333 | 11200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 1720.0 | nM | 5.76 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 8810.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 11200.0 | nM | 4.95 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 17500.0 | nM | 4.76 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 64100.0 | nM | 4.19 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31466835 | 10.1016/j.bmc.2019.115049 | Peritoneal macrophage | 2 |
Data from ChEMBL 36 via Core Engine