Compound Detail
CHEMBL3914092
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Basic Information
| ChEMBL ID | CHEMBL3914092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHKFJHYXTAKRPY-XMHGGMMESA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
5.72
ALogP
4
HBA
1
HBD
80.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.7 | 7.675 | 19.8 | 4 |
| Unchecked CHEMBL612545 | EC50 | 7.65 | 7.65 | 22.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 19.8 | nM | 7.7 | Transactivation of human Gal4-PPARdelta LBD transfected in African green monkey ... | 27660684 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 19.8 | nM | 7.7 | Nuclear Hormone Receptor (NHR) Assay: Cell Handling: PathHunter NHR cell lines w... | - |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 22.6 | nM | 7.65 | Transactivation of ProLink tagged human PPARdelta transfected in CHO-K1 cells as... | 27660684 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 22.6 | nM | 7.65 | Luciferase Assay: Medium including test compound was aspirated and washed with P... | - |
| Unchecked | EC50 | = | 22.6 | nM | 7.65 | Luciferase Assay: Medium including test compound was aspirated and washed with P... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27660684 | 10.1021/acsmedchemlett.6b00301 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine