Compound Detail
CHEMBL3901994
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Basic Information
| ChEMBL ID | CHEMBL3901994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVMZIQCXQRZWJK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.8
MW (Da)
4.87
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL2052036 | EC50 | 6.72 | 6.34 | 190.0 | 2 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 6.38 | 5.9667 | 420.0 | 3 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 190.0 | nM | 6.72 | Agonist activity at mouse GPR120 expressed in CHOK1 cells assessed as induction ... | 28105274 |
| Free fatty acid receptor 4 | EC50 | = | 420.0 | nM | 6.38 | Agonist activity at human GPR120 short isoform expressed in CHOK1 cells assessed... | 28105274 |
| Free fatty acid receptor 4 | EC50 | = | 1100.0 | nM | 5.96 | Agonist activity at mouse GPR120 expressed in U2OS cells assessed as induction o... | 28105274 |
| Free fatty acid receptor 4 | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at ARMS2-PK2 -tagged human GPR120 short isoform expressed in CH... | 28105274 |
| Free fatty acid receptor 4 | EC50 | = | 2148.0 | nM | 5.67 | FLIPR Assay: On the day before the measurement day, CHO cells expressing human G... | - |
| Free fatty acid receptor 1 | EC50 | = | 8100.0 | nM | 5.09 | Agonist activity at human GPR40 expressed in HEK293 cells assessed as induction ... | 28105274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28105274 | 10.1021/acsmedchemlett.6b00360 | Free fatty acid receptor 4 | 4 |
| 28105274 | 10.1021/acsmedchemlett.6b00360 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine