Compound Detail
CHEMBL3958983
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Basic Information
| ChEMBL ID | CHEMBL3958983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYDMJJONRRENDU-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.87
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.84 | 6.84 | 146.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 146.0 | nM | 6.84 | Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase i... | 27825762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27825762 | 10.1016/j.bmcl.2016.10.074 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine