Compound Detail
CHEMBL3195102
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Basic Information
| ChEMBL ID | CHEMBL3195102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCKJRILDSVIIPC-LICLKQGHSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
319.2
MW (Da)
3.43
ALogP
4
HBA
0
HBD
51.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.26 | 5.935 | 548.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.88 | 5.88 | 1310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 548.0 | nM | 6.26 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 1010.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 1260.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 6 | IC50 | = | 1310.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 2430.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine