Compound Detail
CHEMBL1643201
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Basic Information
| ChEMBL ID | CHEMBL1643201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFWLWDBQOZCTFZ-HSZRJFAPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
499.4
MW (Da)
5.33
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 0.5 | nM | 9.3 | Agonist activity at Gal4-fused human PPARdelta DNA binding domain expressed in H... | 21094606 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at Gal4-fused human PPARgamma DNA binding domain expressed in H... | 21094606 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1250.0 | nM | 5.9 | Agonist activity at Gal4-fused human PPARalpha DNA binding domain expressed in H... | 21094606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Peroxisome proliferator-activated receptor delta | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Unchecked | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | PPAR delta/gamma | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Peroxisome proliferator-activated receptor alpha | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | No relevant target | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine