Compound Detail
CHEMBL4203239
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Basic Information
| ChEMBL ID | CHEMBL4203239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HASKDUVBSFNKIR-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
5.49
ALogP
4
HBA
1
HBD
80.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.64 | 6.315 | 229.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 6.64 | 6.64 | 229.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11400.0 | ng.hr.mL-1 | Mus musculus |
| CL | 3.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 2.8 | 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 | = | 230.0 | nM | 6.64 | Activation of human PPARdelta LBD expressed in CHO-K1 cells by beta galactosidas... | 29103972 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 229.0 | nM | 6.64 | Luciferase Assay: Medium including test compound was aspirated and washed with P... | - |
| Unchecked | EC50 | = | 229.0 | nM | 6.64 | Luciferase Assay: Medium including test compound was aspirated and washed with P... | - |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 640.0 | nM | 6.19 | Transactivation of yeast GAL4 DNA binding domain-fused PPARdelta LBD (unknown or... | 29103972 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1639.0 | nM | 5.79 | Nuclear Hormone Receptor (NHR) Assay: Cell Handling: PathHunter NHR cell lines w... | - |
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 | 3 |
| 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