Compound Detail
CHEMBL191060
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 | CHEMBL191060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJMVTSLLWMPEKQ-INIZCTEOSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.32
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 9.46 | 9.46 | 0.3 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.16 | 6.155 | 700.0 | 2 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.44 | 5.44 | 3600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 0.35 | nM | 9.46 | Effective concentration against murine PPARalpha in transactivation assay | 16107150 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 700.0 | nM | 6.16 | Effective concentration against human PPARalpha expressed in HepG2 cells | 16107150 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 707.95 | nM | 6.15 | Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human Hep... | 23502212 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3600.0 | nM | 5.44 | Effective concentration against human PPARgamma expressed in HepG2 cells | 16107150 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3630.78 | nM | 5.44 | Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human Hep... | 23502212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107150 | 10.1021/jm0502844 | Peroxisome proliferator-activated receptor alpha | 4 |
| 16107150 | 10.1021/jm0502844 | Peroxisome proliferator-activated receptor gamma | 2 |
| 23502212 | 10.1016/j.ejmech.2013.02.015 | Peroxisome proliferator-activated receptor gamma | 1 |
| 23502212 | 10.1016/j.ejmech.2013.02.015 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine