Compound Detail
CHEMBL1506967
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Basic Information
| ChEMBL ID | CHEMBL1506967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUBZUQZZZGGPNX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
3.78
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.05
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.92 | 5.92 | 1210.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.43 | 5.43 | 3690.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.05 | 5.03 | 8860.0 | 2 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.03 | 5.03 | 9331.0 | 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 | = | 1210.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 3690.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | EC50 | = | 8860.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Heat shock factor protein 1 | EC50 | = | 9331.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| Unchecked | EC50 | = | 9780.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
Data from ChEMBL 36 via Core Engine