Compound Detail
CHEMBL513886
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL513886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBLZEXLDNURADT-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
7
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.9
MW (Da)
4.54
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.19 | 6.19 | 639.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.76 | 5.76 | 1730.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 116943.68 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 116126.79 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.23 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 15900.0 | nM | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 23.0 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 639.0 | nM | 6.19 | Agonist activity at human PPARgamma expressed in african green monkey CV-1 co-tr... | 18771917 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1730.0 | nM | 5.76 | Agonist activity at human PPARalpha expressed in african green monkey CV-1 by co... | 18771917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18771917 | 10.1016/j.bmcl.2008.08.020 | Mus musculus | 9 |
| 18771917 | 10.1016/j.bmcl.2008.08.020 | Rattus norvegicus | 8 |
| 18771917 | 10.1016/j.bmcl.2008.08.020 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18771917 | 10.1016/j.bmcl.2008.08.020 | Peroxisome proliferator-activated receptor gamma | 1 |
| 18771917 | 10.1016/j.bmcl.2008.08.020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine