Compound Detail
CHEMBL4096579
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1nn(-c2ccc(C)cc2)c2cc(-c3ccc([C@H]4C[C@@H]4C(=O)O)cc3)cc(F)c12
Basic Information
| ChEMBL ID | CHEMBL4096579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAIBBLPRASEICM-UXHICEINSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
5.34
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL2052036 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 7.11 | 7.11 | 78.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.4 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 5000.0 | nM | Mus musculus |
| F | 19.0 | % | Mus musculus |
| Fu | 0.0011 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 17.0 | nM | 7.77 | Agonist activity at mouse GPR120 expressed in CHO-FlpIn cells after 15 mins by D... | 28374589 |
| Free fatty acid receptor 4 | EC50 | = | 78.0 | nM | 7.11 | Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by D... | 28374589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28374589 | 10.1021/acs.jmedchem.7b00210 | Free fatty acid receptor 4 | 4 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | Mus musculus | 4 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | Free fatty acid receptor 1 | 2 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | No relevant target | 1 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | Plasma | 1 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine