Compound Detail
CHEMBL3354989
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Basic Information
| ChEMBL ID | CHEMBL3354989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBCBZGQRHKFODN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
5.67
ALogP
5
HBA
2
HBD
71.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | 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 alpha | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin)... | 25491112 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 25000.0 | nM | 4.6 | Agonist activity at GAL4-tagged PPARdelta (unknown origin) | 25491112 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 25000.0 | nM | 4.6 | Agonist activity at GAL4-tagged PPARgamma (unknown origin) | 25491112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25491112 | 10.1016/j.bmcl.2014.11.052 | Peroxisome proliferator-activated receptor alpha | 1 |
| 25491112 | 10.1016/j.bmcl.2014.11.052 | Peroxisome proliferator-activated receptor delta | 1 |
| 25491112 | 10.1016/j.bmcl.2014.11.052 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine