Compound Detail
CHEMBL4170517
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CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(C)cc4)CC3)s2)cc1
Basic Information
| ChEMBL ID | CHEMBL4170517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDFLRONRERZMHX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
5.18
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.43
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 6.68 | 6.68 | 211.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 211.0 | nM | 6.68 | 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