Compound Detail
CHEMBL3353233
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O=C(CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3353233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYLZLDBTJOJMIU-OGOWPJDRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
2.07
ALogP
7
HBA
7
HBD
160.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.5 | nM | 8.46 | Inhibition of recombinant purified chicken soluble epoxide hydrolase using fluor... | 25479771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25479771 | 10.1016/j.bmcl.2014.11.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine