Compound Detail
CHEMBL3194361
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Basic Information
| ChEMBL ID | CHEMBL3194361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLTDICOIKFBNMT-YBFXNURJSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.95
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
EC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 6.05 | 6.05 | 889.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.7 | 5.7 | 1990.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.36 | 5.36 | 4380.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.19 | 5.19 | 6430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B complex | EC50 | = | 889.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Sentrin-specific protease 7 | IC50 | = | 1990.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 4380.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 6 | IC50 | = | 5080.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 6430.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine