Compound Detail
CHEMBL4102951
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Cc1ccc(-n2nc(C)c3cnc(-c4ccc([C@H]5C[C@@H]5C(=O)O)cc4)cc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4102951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOQAZVKRASANGW-UXHICEINSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
4.89
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 4 CHEMBL2052036 | EC50 | 6.19 | 6.19 | 640.0 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 4 | EC50 | = | 640.0 | nM | 6.19 | Agonist activity at mouse GPR120 expressed in CHO-FlpIn cells after 15 mins by D... | 28374589 |
| Free fatty acid receptor 4 | EC50 | = | 900.0 | nM | 6.05 | Agonist activity at human GPR120 expressed in CHO-FlpIn cells after 15 mins by D... | 28374589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28374589 | 10.1021/acs.jmedchem.7b00210 | Free fatty acid receptor 4 | 4 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | Free fatty acid receptor 1 | 2 |
| 28374589 | 10.1021/acs.jmedchem.7b00210 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine