Compound Detail
CHEMBL478335
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Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)c2ccc(-c3ccccc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL478335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCJCCXANVWILMI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
7.90
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 6.23 | 6.23 | 587.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 587.0 | nM | 6.23 | Displacement of [3H]darglitazone from human PPARgamma by scintillation proximity... | 18394907 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1800.0 | nM | 5.75 | Agonist activity at human PPARgamma expressed in HepG2 cells by GAL4 transactiva... | 18394907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18394907 | 10.1016/j.bmc.2008.03.043 | Peroxisome proliferator-activated receptor gamma | 3 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Peroxisome proliferator-activated receptor alpha | 3 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Peroxisome proliferator-activated receptor delta | 1 |
| 18394907 | 10.1016/j.bmc.2008.03.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine