Compound Detail
CHEMBL1643194
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Basic Information
| ChEMBL ID | CHEMBL1643194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRCUMHGGUAFXSG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
485.4
MW (Da)
5.46
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 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 15.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 25.0 | nM | 7.6 | Agonist activity at Gal4-fused human PPARdelta DNA binding domain expressed in H... | 21094606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 4 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 4 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Peroxisome proliferator-activated receptor delta | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Peroxisome proliferator-activated receptor alpha | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | Peroxisome proliferator-activated receptor gamma | 1 |
| 21094606 | 10.1016/j.bmcl.2010.10.117 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine