Compound Detail
CHEMBL1563939
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Basic Information
| ChEMBL ID | CHEMBL1563939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFOWVXGRGNFIHI-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.05
ALogP
7
HBA
2
HBD
114.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.4 | 5.4 | 3960.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.37 | 5.37 | 4320.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.35 | 5.35 | 4450.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6470.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 5.0 | 5.0 | 9927.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 6 | IC50 | = | 3960.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 4320.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 4450.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Unchecked | IC50 | = | 6470.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 9927.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 15000.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Caspase-3 | IC50 | = | 21700.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine