Compound Detail
CHEMBL3197982
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Basic Information
| ChEMBL ID | CHEMBL3197982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMXGXIVVWSANMS-GZTJUZNOSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.34
ALogP
5
HBA
1
HBD
53.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.76
EC50 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.76 | 5.76 | 1740.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.76 | 5.76 | 1720.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.69 | 5.69 | 2050.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.67 | 4.67 | 21173.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 1740.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 1720.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 2050.0 | nM | 5.69 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Streptokinase A | EC50 | = | 21173.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine