Compound Detail
CHEMBL370152
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Basic Information
| ChEMBL ID | CHEMBL370152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUPOTURDKDMIGQ-UHFFFAOYSA-N |
1
Targets
4
Activities
3
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
428.3
MW (Da)
6.85
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.26
IC50 1 meas. best 7.58
Kd 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Kd | 7.54 | 7.54 | 29.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.26 | 7.25 | 55.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 26.0 | nM | 7.58 | Inhibitory concentration against human peroxisome proliferator activated recepto... | 16153845 |
| Peroxisome proliferator-activated receptor gamma | Kd | = | 29.0 | nM | 7.54 | Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assa... | 23286787 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 55.0 | nM | 7.26 | Effective agonist concentration for human PPAR gamma Gal4 construct in transacti... | 16153845 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 57.0 | nM | 7.24 | Activity at human PPARgamma transfected in HEK293 cells assessed as transactivat... | 25734377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16153845 | 10.1016/j.bmcl.2005.08.002 | Peroxisome proliferator-activated receptor gamma | 3 |
| 23286787 | 10.1021/jm3013272 | Peroxisome proliferator-activated receptor gamma | 3 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 25734377 | 10.1021/jm501155f | Peroxisome proliferator-activated receptor gamma | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 34458737 | 10.1039/D1MD00151E | Staphylococcus aureus | 2 |
| 16153845 | 10.1016/j.bmcl.2005.08.002 | Peroxisome proliferator-activated receptor alpha | 1 |
| 23286787 | 10.1021/jm3013272 | Peroxisome proliferator-activated receptor delta | 1 |
| 23286787 | 10.1021/jm3013272 | Peroxisome proliferator-activated receptor alpha | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 34458737 | 10.1039/D1MD00151E | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine