Compound Detail
CHEMBL4097121
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 | CHEMBL4097121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDVKCBDEVDFHHM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
2.66
ALogP
7
HBA
3
HBD
139.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.57
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 6.33 | 6.33 | 464.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.57 | 5.57 | 2690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 464.0 | nM | 6.33 | Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown... | 28720328 |
| Unchecked | EC50 | = | 2690.0 | nM | 5.57 | Agonist activity at SUR in Wistar rat pancreatic islets assessed as increase in ... | 28720328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28720328 | 10.1016/j.bmc.2017.07.015 | Rattus norvegicus | 1 |
| 28720328 | 10.1016/j.bmc.2017.07.015 | Peroxisome proliferator-activated receptor gamma | 1 |
| 28720328 | 10.1016/j.bmc.2017.07.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine