Compound Detail
CHEMBL1719113
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Basic Information
| ChEMBL ID | CHEMBL1719113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVELEOAYXWGCEU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
315.6
MW (Da)
4.26
ALogP
4
HBA
2
HBD
73.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.61 | 5.61 | 2430.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.42 | 5.42 | 3790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 2200.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 2410.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 2430.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 3790.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine