Compound Detail
CHEMBL1778840
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Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1778840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJUBGMRHMNICPT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
7.43
ALogP
6
HBA
1
HBD
85.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 11.0 | nM | 7.96 | Agonist activity at human PPARdelta-LBD expressed in CV1 cells co-transfected wi... | 21515063 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at human PPARalpha-LBD expressed in CV1 cells co-transfected wi... | 21515063 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 910.0 | nM | 6.04 | 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 | Unchecked | 3 |
| 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