Compound Detail
CHEMBL4285167
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C[C@H](CC(=O)O)CC(=O)c1c([C@H](O)CCCCCc2ccccc2)n(C)c2ccc(Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL4285167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWWVWEXIBTVPMV-FDDCHVKYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.0
MW (Da)
6.35
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 CHEMBL1628461 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxoeicosanoid receptor 1 | IC50 | = | 260.0 | nM | 6.58 | Antagonist activity at OXE receptor in human neutrophils assessed as inhibition ... | 29972644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29972644 | 10.1021/acs.jmedchem.8b00154 | Oxoeicosanoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine