Compound Detail
CHEMBL23453
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Basic Information
| ChEMBL ID | CHEMBL23453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPHACENAZHGWHS-JRZJBTRGSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.52
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Caspase-1 CHEMBL4801 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 120.0 | nM | 6.92 | Compound was evaluated for its inhibitory activity against the Calpain-1 enzyme | 14980679 |
| Cathepsin B | IC50 | = | 300.0 | nM | 6.52 | Compound was evaluated for its inhibitory activity against Cathepsin B | 14980679 |
| Caspase-1 | IC50 | = | 900.0 | nM | 6.05 | Compound was evaluated for its inhibitory activity against the Caspase-1 enzyme | 14980679 |
| Caspase-3 | IC50 | = | 1100.0 | nM | 5.96 | 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 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Caspase-1 | 1 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Caspase-6 | 1 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Caspase-7 | 1 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Caspase-8 | 1 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Caspase-9 | 1 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Cathepsin B | 1 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Calpain-1 catalytic subunit | 1 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Prothrombin | 1 |
| 14980679 | 10.1016/j.bmcl.2003.12.065 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine