Compound Detail
CHEMBL1534294
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Basic Information
| ChEMBL ID | CHEMBL1534294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCZUKBMQBQFZDZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
4.17
ALogP
4
HBA
1
HBD
57.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | EC50 | 5.45 | 5.45 | 3540.0 | 1 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 5.13 | 5.13 | 7390.0 | 1 |
| Caspase-7 CHEMBL3468 | EC50 | 5.02 | 5.02 | 9486.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | EC50 | = | 3540.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response ass... | - |
| Endoribonuclease toxin MazF | EC50 | = | 7390.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| Caspase-7 | EC50 | = | 9486.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Counterscreen for procaspase-3 activators: absorbance-based bi... | - |
Data from ChEMBL 36 via Core Engine