Compound Detail
CHEMBL163333
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Basic Information
| ChEMBL ID | CHEMBL163333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJAGKWUZTMLWSX-MFOYZWKCSA-N |
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.64
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas.
EC50 1 meas. best 5.28
Kd 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Kd | 5.61 | 5.61 | 2460.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Kd | = | 2460.0 | nM | 5.61 | Binding affinity to GAL4-DBD-fused PPARgamma ligand binding domain (unknown orig... | 34118723 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 5300.0 | nM | 5.28 | Partial agonist activity at GAL4 DBD-fused PPARgamma LBD (unknown origin) expres... | 34118723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34118723 | 10.1016/j.ejmech.2021.113542 | Peroxisome proliferator-activated receptor gamma | 3 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | MDCK | 2 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | NIH3T3 | 1 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | REF | 1 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | SW480 | 1 |
| 23434637 | 10.1016/j.ejmech.2013.01.012 | Retinoic acid receptor RXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine