Compound Detail
CHEMBL4101596
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 | CHEMBL4101596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQTSCOAKLNPSFQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
3.67
ALogP
6
HBA
1
HBD
94.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.15 | 7.15 | 71.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.1 | 6.1 | 790.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.01 | 6.01 | 977.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 71.0 | nM | 7.15 | Transactivation of human GAL4-fused PPARgamma LBD expressed in African green mon... | 29446942 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 790.0 | nM | 6.1 | Transactivation of human GAL4-fused PPARalpha LBD expressed in African green mon... | 29446942 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 977.0 | nM | 6.01 | Transactivation of human GAL4-fused PPARdelta LBD expressed in African green mon... | 29446942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29446942 | 10.1021/acs.jmedchem.7b01285 | Peroxisome proliferator-activated receptor alpha | 2 |
| 29446942 | 10.1021/acs.jmedchem.7b01285 | Peroxisome proliferator-activated receptor delta | 2 |
| 29446942 | 10.1021/acs.jmedchem.7b01285 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine