Compound Detail
CHEMBL234378
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Basic Information
| ChEMBL ID | CHEMBL234378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZIJEHNHNLJSSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
3.14
ALogP
4
HBA
1
HBD
55.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 3.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | Ki | 3.92 | 3.92 | 120000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | Ki | = | 120000.0 | nM | 3.92 | Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubat... | 32539387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17296301 | 10.1016/j.bmc.2007.01.039 | Candida albicans | 1 |
| 32539387 | 10.1021/acs.jmedchem.0c00242 | Caspase-3 | 1 |
| 32739649 | 10.1016/j.ejmech.2020.112556 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine