Compound Detail
CHEMBL196261
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 | CHEMBL196261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRNAFUZKCDWKLJ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1206077 |
| Active Moiety | CHEMBL1206077 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.71
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 5.17 | 5.17 | 6690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 6690.0 | nM | 5.17 | Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] ... | 16137885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16137885 | 10.1016/j.bmcl.2005.07.049 | Peroxisome proliferator-activated receptor gamma | 3 |
| 16137885 | 10.1016/j.bmcl.2005.07.049 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine