Compound Detail
CHEMBL2001041
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Basic Information
| ChEMBL ID | CHEMBL2001041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMHSALXAHKMLCM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
469.9
MW (Da)
4.26
ALogP
7
HBA
1
HBD
95.4
PSA (Ų)
0.19
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.62 | 5.62 | 2370.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.45 | 4.87 | 3590.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 2370.0 | nM | 5.62 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 3590.0 | nM | 5.45 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 50800.0 | nM | 4.29 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
Data from ChEMBL 36 via Core Engine