Compound Detail
CHEMBL591347
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Basic Information
| ChEMBL ID | CHEMBL591347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SARCXQPFDLCCLT-LMVJEOCVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
5.84
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at human full length PPARgamma expressed in human HepG2 cells c... | 20022492 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 500.0 | nM | 6.3 | Agonist activity at human full length PPARalpha expressed in human HepG2 cells c... | 20022492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Peroxisome proliferator-activated receptor gamma | 2 |
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Peroxisome proliferator-activated receptor alpha | 2 |
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Mus musculus | 1 |
| 20022492 | 10.1016/j.bmcl.2009.12.022 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine