Compound Detail
CHEMBL1375659
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Basic Information
| ChEMBL ID | CHEMBL1375659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQYSTSHQRRVQGE-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
277.5
MW (Da)
3.93
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.55
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.36 | 5.36 | 4380.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.55 | 4.55 | 27870.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.55 | 4.55 | 28300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 4380.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 8700.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | EC50 | = | 28300.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Heat shock factor protein 1 | EC50 | = | 27870.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine