Compound Detail
CHEMBL4067479
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Basic Information
| ChEMBL ID | CHEMBL4067479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNTWWHKKRVWSRT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
4.96
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.59 | 6.59 | 256.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.69 | 5.69 | 2026.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.62 | 5.62 | 2421.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 256.0 | nM | 6.59 | Transactivation of human GAL4-fused PPARgamma LBD expressed in African green mon... | 29446942 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 2026.0 | nM | 5.69 | Transactivation of human GAL4-fused PPARdelta LBD expressed in African green mon... | 29446942 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2421.0 | nM | 5.62 | Transactivation of human GAL4-fused PPARalpha LBD expressed in African green mon... | 29446942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29446942 | 10.1021/acs.jmedchem.7b01285 | Peroxisome proliferator-activated receptor alpha | 2 |
| 29446942 | 10.1021/acs.jmedchem.7b01285 | Peroxisome proliferator-activated receptor delta | 2 |
| 29446942 | 10.1021/acs.jmedchem.7b01285 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine