Compound Detail
CHEMBL4460582
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Basic Information
| ChEMBL ID | CHEMBL4460582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTDJUKVOKKMSFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.88
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.32 | 8.32 | 4.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2874670.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.1087 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 510481.66 | nM | Rattus norvegicus |
| T1/2 | 5.42 | 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 | = | 4.8 | nM | 8.32 | Agonist activity at FFA1 receptor (unknown origin) stably expressed in CHO cells... | 31279294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31279294 | 10.1016/j.ejmech.2019.06.087 | ADMET | 4 |
| 31279294 | 10.1016/j.ejmech.2019.06.087 | Mus musculus | 2 |
| 31279294 | 10.1016/j.ejmech.2019.06.087 | Hepatocyte | 2 |
| 31279294 | 10.1016/j.ejmech.2019.06.087 | Free fatty acid receptor 1 | 1 |
| 31279294 | 10.1016/j.ejmech.2019.06.087 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine