Compound Detail
CHEMBL5195742
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Basic Information
| ChEMBL ID | CHEMBL5195742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNKZDYGBWDHRMX-MDZDMXLPSA-N |
4
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.68
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.59 | 4.59 | 25800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 71.96 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.321 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 1800.0 | nM | 5.75 | Agonist activity at human FFA1 expressed in CHO cells measured by FLIPR assay | 34954593 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 6500.0 | nM | 5.19 | Agonist activity at human PPARdelta measured by dual luciferase reporter gene as... | 34954593 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 7500.0 | nM | 5.12 | Agonist activity at human PPARalpha measured by dual luciferase reporter gene as... | 34954593 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 25800.0 | nM | 4.59 | Agonist activity at human PPARgamma measured by dual luciferase reporter gene as... | 34954593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34954593 | 10.1016/j.ejmech.2021.114061 | Mus musculus | 26 |
| 34954593 | 10.1016/j.ejmech.2021.114061 | ADMET | 2 |
| 34954593 | 10.1016/j.ejmech.2021.114061 | Free fatty acid receptor 1 | 1 |
| 34954593 | 10.1016/j.ejmech.2021.114061 | Peroxisome proliferator-activated receptor alpha | 1 |
| 34954593 | 10.1016/j.ejmech.2021.114061 | Peroxisome proliferator-activated receptor gamma | 1 |
| 34954593 | 10.1016/j.ejmech.2021.114061 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine