Compound Detail
CHEMBL1081917
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Basic Information
| ChEMBL ID | CHEMBL1081917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAVTYPZLGGLRSG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
20
Publications
0
Known Names
Molecular Properties
479.4
MW (Da)
5.54
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.52 | 8.52 | 3.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 43.43 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 101.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human PPARdelta ligand binding domain expressed in human 293... | 19928766 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at Gal4-fused human PPARdelta DNA binding domain expressed in H... | 21094606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 3 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 2 |
| - | 10.6019/CHEMBL5303304 | U2OS | 2 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| 19928766 | 10.1021/jm9007399 | Peroxisome proliferator-activated receptor alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | PPAR delta/gamma | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Unchecked | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Peroxisome proliferator-activated receptor delta | 1 |
| 19928766 | 10.1021/jm9007399 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine