Compound Detail
CHEMBL3199860
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Basic Information
| ChEMBL ID | CHEMBL3199860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUEBODAYVGBGIW-OQLLNIDSSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.32
ALogP
5
HBA
1
HBD
37.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.38
EC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.38 | 5.38 | 4190.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.22 | 5.22 | 5974.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.81 | 15516.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.53 | 4.53 | 29800.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 4190.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 5974.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Sentrin-specific protease 6 | IC50 | = | 12800.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Unchecked | IC50 | = | 15516.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
| Caspase-3 | IC50 | = | 29800.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 31600.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28676272 | 10.1016/j.bmcl.2017.06.043 | No relevant target | 12 |
| 28676272 | 10.1016/j.bmcl.2017.06.043 | Candida albicans | 4 |
| 28676272 | 10.1016/j.bmcl.2017.06.043 | Aspergillus niger | 4 |
| 28676272 | 10.1016/j.bmcl.2017.06.043 | Aspergillus flavus | 4 |
Data from ChEMBL 36 via Core Engine