Compound Detail
CHEMBL2113731
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CCCCN(O)C(=O)NCc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL2113731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOMJVKPFWRFJLH-NSOVKSMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
675.2
MW (Da)
7.84
ALogP
9
HBA
2
HBD
108.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 167.0 | nM | 6.78 | Displacement of [3H]PAF from PAF receptor of human platelet membranes | 9599246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599246 | 10.1021/jm980046r | Platelet-activating factor receptor | 1 |
| 9599246 | 10.1021/jm980046r | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9599246 | 10.1021/jm980046r | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine