Compound Detail
CHEMBL5084377
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Basic Information
| ChEMBL ID | CHEMBL5084377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUEFKAHLCBNPMM-UHFFFAOYSA-N |
6
Targets
12
Activities
1
Assay Types
10
PK Parameters
20
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
3.84
ALogP
7
HBA
1
HBD
95.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 12 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.49 | 8.2567 | 3.2 | 3 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.28 | 8.1233 | 5.3 | 3 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 7.78 | 7.78 | 16.8 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL2458 | EC50 | 7.71 | 7.71 | 19.7 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 5.99 | 5.99 | 1013.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.88 | 5.7667 | 1316.1 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9126.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 39148.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 23182.86 | nM | Rattus norvegicus |
| Cmax | 10944.72 | nM | Rattus norvegicus |
| F | 86.35 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 6.78 | hr | Rattus norvegicus |
| T1/2 | 5.11 | hr | Rattus norvegicus |
| Tmax | 0.08 | hr | Rattus norvegicus |
| Tmax | 1.42 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine