Compound Detail
CHEMBL4175826
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CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)s2)cc1
Basic Information
| ChEMBL ID | CHEMBL4175826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXPZPQWOPKSQEM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
4.88
ALogP
6
HBA
1
HBD
79.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.54 | 6.54 | 289.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 289.0 | nM | 6.54 | Agonist activity at human GPR40 expressed in HEK293 cells assessed as increase i... | 29705709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29705709 | 10.1016/j.ejmech.2018.04.023 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine