Compound Detail
CHEMBL1985704
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Basic Information
| ChEMBL ID | CHEMBL1985704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUTZZDLVAWAPRH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.77
ALogP
5
HBA
1
HBD
77.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.04 | 4.775 | 9170.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.83 | 4.83 | 14800.0 | 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 | = | 9170.0 | nM | 5.04 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 14800.0 | nM | 4.83 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 30730.0 | nM | 4.51 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
Data from ChEMBL 36 via Core Engine