Compound Detail
CHEMBL382381
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Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL382381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTSCYVQPSBMCFH-MSOLQXFVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.94
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.61 | 8.46 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 2.455 | nM | 8.61 | Agonist potency at human GPR40 expressed in CHO cells | 16439116 |
| Free fatty acid receptor 1 | EC50 | = | 4.898 | nM | 8.31 | Agonist potency at human GPR40 expressed in CHO cells | 16439116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16439116 | 10.1016/j.bmcl.2006.01.007 | Free fatty acid receptor 1 | 4 |
Data from ChEMBL 36 via Core Engine