Compound Detail
CHEMBL2204694
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Basic Information
| ChEMBL ID | CHEMBL2204694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAVOGEVLUYEMMM-ZHACJKMWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
6.11
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 800.0 | nM | 6.1 | Transactivation of human GAL4-fused PPARgamma ligand binding domain transfected ... | 23102891 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 9900.0 | nM | 5.0 | Transactivation of human GAL4-fused PPARalpha ligand binding domain transfected ... | 23102891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32206235 | 10.1039/C9MD00286C | No relevant target | 13 |
| 23102891 | 10.1016/j.bmcl.2012.09.111 | Peroxisome proliferator-activated receptor gamma | 2 |
| 23102891 | 10.1016/j.bmcl.2012.09.111 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine