Compound Detail
CHEMBL5179787
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CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(OC)OC[C@H](NC(C)=O)C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL5179787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHGUBWXTPCWXQJ-CTUGRKDQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
616.7
MW (Da)
4.38
ALogP
9
HBA
4
HBD
169.7
PSA (Ų)
0.09
QED
1
Ro5 Violations
25
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Probable G-protein coupled receptor 174 CHEMBL3813587 | IC50 | 7.29 | 7.29 | 51.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Probable G-protein coupled receptor 174 | IC50 | = | 51.0 | nM | 7.29 | Antagonist activity at mouse GPR174 transfected in human HEK293FT cells co-trans... | 34233115 |
| Probable G-protein coupled receptor 174 | IC50 | = | 51.29 | nM | 7.29 | Antagonist activity at mouse GPR174 transfected in human HEK293FT cells co-trans... | 34233115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34233115 | 10.1021/acs.jmedchem.1c00347 | Probable G-protein coupled receptor 174 | 5 |
Data from ChEMBL 36 via Core Engine