Compound Detail
CHEMBL1307406
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 | CHEMBL1307406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVLXJJPFNLPGOS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.49
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.7 | 5.7 | 2010.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.55 | 5.55 | 2830.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.47 | 5.47 | 3350.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.23 | 4.23 | 58600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 6 | IC50 | = | 2010.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 2830.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 3350.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 15200.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 58600.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
Data from ChEMBL 36 via Core Engine