Compound Detail
CHEMBL69426
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Basic Information
| ChEMBL ID | CHEMBL69426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKYVPHALQOCQFT-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.3
MW (Da)
3.79
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | IC50 | 4.01 | 4.01 | 96900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | IC50 | = | 96900.0 | nM | 4.01 | Inhibitory concentration required against human Caspase-3 | 12798321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12798321 | 10.1016/s0960-894x(03)00390-1 | Caspase-3 | 1 |
Data from ChEMBL 36 via Core Engine