Compound Detail
CHEMBL4159848
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Basic Information
| ChEMBL ID | CHEMBL4159848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLGYMHQESOADRB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
4.87
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.14 | 7.14 | 72.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.9167 | hr | Mus musculus |
| T1/2 | 1.75 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 72.0 | nM | 7.14 | Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase i... | 29705709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29705709 | 10.1016/j.ejmech.2018.04.023 | ADMET | 4 |
| 29705709 | 10.1016/j.ejmech.2018.04.023 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine