Compound Detail
CHEMBL4741141
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Basic Information
| ChEMBL ID | CHEMBL4741141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICRSRJPPVADSGE-INIZCTEOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.48
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.71
Kd 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Kd | 7.03 | 7.03 | 94.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.71 | 5.71 | 1940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Kd | = | 94.0 | nM | 7.03 | Binding affinity to PPARg (unknown origin) by SPR assay | 33142057 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1940.0 | nM | 5.71 | Agonist activity at GAL4-tagged PPARg-LBD (unknown origin) expressed in HEK293 c... | 33142057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33142057 | 10.1021/acs.jmedchem.0c01555 | Unchecked | 9 |
| 33142057 | 10.1021/acs.jmedchem.0c01555 | Peroxisome proliferator-activated receptor gamma | 7 |
| 33142057 | 10.1021/acs.jmedchem.0c01555 | Peroxisome proliferator-activated receptor alpha | 1 |
| 33142057 | 10.1021/acs.jmedchem.0c01555 | 3T3-L1 | 1 |
Data from ChEMBL 36 via Core Engine