Compound Detail
CHEMBL1303887
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Basic Information
| ChEMBL ID | CHEMBL1303887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRPIYUDMHQNLSC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
4.39
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.63 | 5.63 | 2360.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.31 | 5.31 | 4940.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.29 | 5.29 | 5090.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.03 | 4.03 | 94500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 2360.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 4940.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 5090.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 11500.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Protein skinhead-1 | IC50 | = | 94500.0 | nM | 4.03 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Data from ChEMBL 36 via Core Engine