Compound Detail
CHEMBL4080597
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Basic Information
| ChEMBL ID | CHEMBL4080597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHYAHXIELZXJGT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
2.39
ALogP
7
HBA
3
HBD
139.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 6.39 | 6.39 | 408.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.6 | 5.6 | 2510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 408.0 | nM | 6.39 | Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown... | 28720328 |
| Unchecked | EC50 | = | 2510.0 | nM | 5.6 | 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