Compound Detail
CHEMBL3972870
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Basic Information
| ChEMBL ID | CHEMBL3972870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRGYIXNEJRDEDC-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.9
MW (Da)
6.26
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 8.25 | 8.05 | 5.6 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.6 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6200.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.93 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 5.6 | nM | 8.25 | Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105282 |
| Free fatty acid receptor 4 | EC50 | = | 14.0 | nM | 7.85 | Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28105282 | 10.1021/acsmedchemlett.6b00394 | ADMET | 4 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 4 | 3 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 1 | 1 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine