Compound Detail
CHEMBL4797877
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Basic Information
| ChEMBL ID | CHEMBL4797877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URSGXIXRNKAMHF-ZZXKWVIFSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
2.12
ALogP
7
HBA
1
HBD
95.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.16
EC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | Ki | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 7000.0 | nM | 5.16 | Binding affinity to human recombinant PPARgamma by Cheng-Prusoff equation based ... | 30352713 |
| Unchecked | EC50 | = | 7600.0 | nM | 5.12 | Induction of adipogenesis in human AT-MSC assessed as adiponectin secretion in I... | 30352713 |
| Peroxisome proliferator-activated receptor alpha | Ki | = | 9500.0 | nM | 5.02 | Binding affinity to human recombinant PPARalpha by Cheng-Prusoff equation based ... | 30352713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30352713 | 10.1016/j.bmc.2018.10.010 | PPAR alpha/gamma | 16 |
| 30352713 | 10.1016/j.bmc.2018.10.010 | Unchecked | 9 |
| 30352713 | 10.1016/j.bmc.2018.10.010 | Peroxisome proliferator-activated receptor gamma | 3 |
| 30352713 | 10.1016/j.bmc.2018.10.010 | Peroxisome proliferator-activated receptor alpha | 3 |
| 30352713 | 10.1016/j.bmc.2018.10.010 | Oxysterols receptor LXR-alpha | 1 |
| 30352713 | 10.1016/j.bmc.2018.10.010 | Glucocorticoid receptor | 1 |
| 30352713 | 10.1016/j.bmc.2018.10.010 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine