Compound Detail
CHEMBL1992801
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1992801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWEDVIXMINEDLB-LICLKQGHSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.7
MW (Da)
3.73
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.55
EC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.16 | 6.16 | 694.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.55 | 5.55 | 2830.0 | 1 |
| H4 CHEMBL1075452 | EC50 | 5.28 | 5.28 | 5271.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.25 | 5.25 | 5570.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.2 | 5.2 | 6380.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 694.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Sentrin-specific protease 7 | IC50 | = | 2830.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| H4 | EC50 | = | 5271.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Sentrin-specific protease 6 | IC50 | = | 5570.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 6380.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 8200.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28119201 | 10.1016/j.ejmech.2017.01.022 | Leishmania braziliensis | 2 |
Data from ChEMBL 36 via Core Engine