Compound Detail
CHEMBL128034
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1.[I-]
Basic Information
| ChEMBL ID | CHEMBL128034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPWQXMJMEFWNBM-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180409 |
| Active Moiety | CHEMBL1180409 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
590.8
MW (Da)
6.41
ALogP
7
HBA
1
HBD
98.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 4.5 | nM | 8.35 | 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