Compound Detail
CHEMBL3196108
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Basic Information
| ChEMBL ID | CHEMBL3196108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPKHEQRHPVZIPW-RCCKNPSSSA-N |
6
Targets
11
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
3.13
ALogP
7
HBA
1
HBD
65.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.17
EC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 6.17 | 5.905 | 680.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.77 | 5.41 | 1705.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.58 | 5.58 | 2630.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.41 | 4.9767 | 3910.0 | 3 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.28 | 5.28 | 5230.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.12 | 5.12 | 7520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35234475 | 10.1021/acs.jmedchem.1c01912 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine