Compound Detail
CHEMBL23225
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Basic Information
| ChEMBL ID | CHEMBL23225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUQYWTQUORHBKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
0.41
ALogP
5
HBA
3
HBD
121.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against human recombinant Caspase-3 enzyme | 14980679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Caspase-3 | 1 |
Data from ChEMBL 36 via Core Engine