Compound Detail
CHEMBL3923877
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Basic Information
| ChEMBL ID | CHEMBL3923877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKWRTRHYNQCZLY-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.14
ALogP
3
HBA
3
HBD
95.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL1795180 | EC50 | 9.4 | 9.4 | 0.4 | 1 |
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 0.4 | nM | 9.4 | Agonist activity at rat GPR40 expressed in HEK293 cells assessed as increase in ... | 27825762 |
| Free fatty acid receptor 1 | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at FFA1 (unknown origin) | 28285923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27825762 | 10.1016/j.bmcl.2016.10.074 | Molecular identity unknown | 1 |
| 27825762 | 10.1016/j.bmcl.2016.10.074 | Free fatty acid receptor 1 | 1 |
| 28285923 | 10.1016/j.bmc.2017.03.001 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine