Compound Detail
CHEMBL1341119
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Basic Information
| ChEMBL ID | CHEMBL1341119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSLCEARUEKPIDI-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.42
ALogP
5
HBA
0
HBD
42.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.91
EC50 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.64 | 6.3533 | 228.0 | 3 |
| Caspase-3 CHEMBL2334 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 228.0 | nM | 6.64 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... | - |
| Unchecked | EC50 | = | 514.0 | nM | 6.29 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Unchecked | EC50 | = | 734.0 | nM | 6.13 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Caspase-3 | IC50 | = | 12400.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 12900.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 18500.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 19400.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine