Compound Detail
CHEMBL1387749
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Basic Information
| ChEMBL ID | CHEMBL1387749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQYDWIFEFYUJLG-GHRIWEEISA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.64
ALogP
5
HBA
2
HBD
86.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.84 | 5.83 | 1446.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.63 | 4.63 | 23500.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.53 | 4.53 | 29800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1446.0 | nM | 5.84 | PUBCHEM_BIOASSAY: SAR Analysis for the identification of Selective Antagonists o... | - |
| G-protein coupled receptor 35 | IC50 | = | 1509.73 | nM | 5.82 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Sentrin-specific protease 7 | IC50 | = | 21300.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 23500.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 6 | IC50 | = | 23700.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 29800.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine