Compound Detail
CHEMBL3952043
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
COc1cc(O[C@H]2C[C@H](OC)C2)nc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F
Basic Information
| ChEMBL ID | CHEMBL3952043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMDZAHNINJKMQM-BRWVUGGUSA-N |
2
Targets
4
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.01
ALogP
6
HBA
1
HBD
87.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL2052036 | EC50 | 8.34 | 8.295 | 4.6 | 2 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 8.3 | 8.075 | 5.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.4 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 760.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 2.4 | 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 | = | 4.6 | nM | 8.34 | Agonist activity at mouse GPR120 expressed in human U2OS cells assessed as beta-... | 28105282 |
| Free fatty acid receptor 4 | EC50 | = | 5.0 | nM | 8.3 | Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105282 |
| Free fatty acid receptor 4 | EC50 | = | 5.6 | nM | 8.25 | Agonist activity at mouse GPR120 expressed in CHOK1 cells assessed as increase i... | 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 | 6 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 4 | 5 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Free fatty acid receptor 1 | 2 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Mus musculus | 2 |
| 28105282 | 10.1021/acsmedchemlett.6b00394 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine