Compound Detail
CHEMBL338441
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CCCCCCCCCCCCCCCCOCC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1.[I-]
Basic Information
| ChEMBL ID | CHEMBL338441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLUNRNXZTOBQQH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180471 |
| Active Moiety | CHEMBL1180471 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.8
MW (Da)
6.72
ALogP
6
HBA
0
HBD
78.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibitory activity expressed as the concentration required to inhibit platelet-... | 1992139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992139 | 10.1021/jm00105a058 | Platelet-activating factor receptor | 2 |
Data from ChEMBL 36 via Core Engine