Compound Detail
CHEMBL3959068
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
CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3ccc4c(c3)CC[C@H]([C@@H]3C[C@H]3C(=O)O)O4)c2)C1
Basic Information
| ChEMBL ID | CHEMBL3959068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWKWZHDURCZYKO-VACFCZKPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
4.60
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
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 CHEMBL5339 | EC50 | 7.77 | 7.56 | 17.0 | 2 |
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 human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105282 |
| Free fatty acid receptor 4 | EC50 | = | 45.0 | nM | 7.35 | 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 | Free fatty acid receptor 4 | 3 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 1 | 1 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Mus musculus | 1 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine