Compound Detail
CHEMBL1778830
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Basic Information
| ChEMBL ID | CHEMBL1778830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLCKIAGBRRECJJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.9
MW (Da)
6.12
ALogP
6
HBA
1
HBD
98.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.86 | 4.86 | 13900.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.58 | 4.58 | 26400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 5400.0 | nM | 5.27 | Agonist activity at human PPARdelta-LBD expressed in CV1 cells co-transfected wi... | 21515063 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 13900.0 | nM | 4.86 | Agonist activity at human PPARalpha-LBD expressed in CV1 cells co-transfected wi... | 21515063 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 26400.0 | nM | 4.58 | Agonist activity at human PPARgamma-LBD expressed in CV1 cells co-transfected wi... | 21515063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21515063 | 10.1016/j.bmc.2011.03.053 | Peroxisome proliferator-activated receptor alpha | 1 |
| 21515063 | 10.1016/j.bmc.2011.03.053 | Peroxisome proliferator-activated receptor gamma | 1 |
| 21515063 | 10.1016/j.bmc.2011.03.053 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine