Compound Detail
CHEMBL1301243
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Basic Information
| ChEMBL ID | CHEMBL1301243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLMGGSUCFHYTFW-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.2
MW (Da)
4.28
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.79 | 5.79 | 1630.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.75 | 5.75 | 1790.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.57 | 5.57 | 2670.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.27 | 5230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 1630.0 | nM | 5.79 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 1790.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 2670.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Unchecked | IC50 | = | 5230.0 | nM | 5.28 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 5436.0 | nM | 5.26 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
Data from ChEMBL 36 via Core Engine