Compound Detail
CHEMBL4465004
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Basic Information
| ChEMBL ID | CHEMBL4465004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLSYUMYWJBGGGT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
365.9
MW (Da)
4.47
ALogP
5
HBA
1
HBD
66.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 5700.0 | nM | 5.24 | Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to ... | 30702885 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 9800.0 | nM | 5.01 | Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 1... | 30702885 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 25000.0 | nM | 4.6 | Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to ... | 30702885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Retinoic acid receptor RXR-alpha | 2 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Peroxisome proliferator-activated receptor alpha | 2 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Peroxisome proliferator-activated receptor delta | 2 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Retinoic acid receptor RXR-beta | 1 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Peroxisome proliferator-activated receptor gamma | 1 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | Retinoic acid receptor RXR-gamma | 1 |
| 30702885 | 10.1021/acs.jmedchem.8b01848 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine