Compound Detail
CHEMBL1409835
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Basic Information
| ChEMBL ID | CHEMBL1409835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAAHPCIPFCTISV-ZROIWOOFSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.35
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.26 | 5.26 | 5550.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.25 | 5.25 | 5559.1 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.21 | 5.21 | 6100.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.595 | 16550.0 | 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 | = | 5550.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 5559.07 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 6100.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 6240.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | IC50 | = | 16550.0 | nM | 4.78 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 38770.0 | nM | 4.41 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine