Compound Detail
CHEMBL484663
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Basic Information
| ChEMBL ID | CHEMBL484663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFULTBKXWHYHFQ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
2.87
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.28 | 5.28 | 5248.1 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| Inositol hexakisphosphate kinase 2 CHEMBL4523488 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.06 | 4.06 | 87700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 5248.07 | nM | 5.28 | Inhibition of rat lens aldose reductase | 18585047 |
| Sentrin-specific protease 7 | IC50 | = | 9800.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 11600.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Inositol hexakisphosphate kinase 2 | IC50 | = | 12900.0 | nM | 4.89 | Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins foll... | 30624931 |
| Caspase-3 | IC50 | = | 16800.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 6 | IC50 | = | 87700.0 | nM | 4.06 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19807106 | 10.1021/jm900964r | Peroxisome proliferator-activated receptor gamma | 2 |
| 19807106 | 10.1021/jm900964r | Peroxisome proliferator-activated receptor alpha | 2 |
| 23265844 | 10.1016/j.bmc.2012.11.040 | Peroxisome proliferator-activated receptor delta | 2 |
| 1800636 | 10.1021/np50077a018 | Unchecked | 1 |
| 1479375 | 10.1021/np50089a001 | Tyrosine-protein kinase Lck | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 30624931 | 10.1021/acs.jmedchem.8b01593 | Inositol hexakisphosphate kinase 2 | 1 |
| 30624931 | 10.1021/acs.jmedchem.8b01593 | Inositol polyphosphate multikinase | 1 |
| 30624931 | 10.1021/acs.jmedchem.8b01593 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine