Compound Detail
CHEMBL3191218
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Basic Information
| ChEMBL ID | CHEMBL3191218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRKHMMSNNIQPFI-YDZHTSKRSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
394.8
MW (Da)
4.70
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.78
IC50 4 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 6.78 | 6.78 | 167.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.69 | 5.69 | 2050.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.54 | 5.54 | 2910.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.43 | 5.43 | 3740.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.3 | 5.3 | 5017.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock factor protein 1 | EC50 | = | 167.0 | nM | 6.78 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Sentrin-specific protease 8 | IC50 | = | 2050.0 | nM | 5.69 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 2160.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2910.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Sentrin-specific protease 7 | IC50 | = | 3740.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Streptokinase A | EC50 | = | 5017.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Caspase-3 | IC50 | = | 14800.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine