Compound Detail
CHEMBL4212837
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Basic Information
| ChEMBL ID | CHEMBL4212837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRLUQZAEJIZRCO-QDEBKDIKSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
5.02
ALogP
4
HBA
1
HBD
80.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.1 | 7.095 | 80.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 750.0 | ng.hr.mL-1 | Mus musculus |
| CL | 67.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 1.9 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 80.0 | nM | 7.1 | Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidas... | 29103972 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 80.4 | nM | 7.09 | Luciferase Assay: Medium including test compound was aspirated and washed with P... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29103972 | 10.1016/j.bmcl.2017.10.037 | Mus musculus | 3 |
| 29103972 | 10.1016/j.bmcl.2017.10.037 | Peroxisome proliferator-activated receptor delta | 2 |
| 29103972 | 10.1016/j.bmcl.2017.10.037 | ADMET | 2 |
| 29103972 | 10.1016/j.bmcl.2017.10.037 | Peroxisome proliferator-activated receptor alpha | 1 |
| 29103972 | 10.1016/j.bmcl.2017.10.037 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine