Compound Detail
CHEMBL4874972
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C[C@H](C(=O)O)[C@@H](c1ccc2c(c1)O[C@@H](C1CCN([C@@H](C)c3cc(F)ccc3OC(F)(F)F)CC1)CC2)C1CC1
Basic Information
| ChEMBL ID | CHEMBL4874972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADYYYLTWZYYGNX-BLHZKRCXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
7.11
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at GPR40 (unknown origin) expressed in CHO cells co-expressing ... | 33769827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33769827 | 10.1021/acs.jmedchem.1c00031 | Free fatty acid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine