Compound Detail
CHEMBL108778
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Basic Information
| ChEMBL ID | CHEMBL108778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQNPFQTWMSNSAP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
88.1
MW (Da)
0.73
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.52
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 3 CHEMBL3886125 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 3 | EC50 | = | 30000.0 | nM | 4.52 | Agonist activity at rat GPR41 expressed in Saccharomyces cerevisiae MMY22 co-exp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10560743 | 10.1016/s0960-894x(99)00547-8 | K562 | 6 |
| 19520580 | 10.1016/j.bmc.2009.05.042 | Histone deacetylase | 1 |
| 221658 | 10.1021/jm00193a012 | S49 | 1 |
Data from ChEMBL 36 via Core Engine