Compound Detail
CHEMBL12439
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
CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1.[I-]
Basic Information
| ChEMBL ID | CHEMBL12439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXYIAYZLDPKRGT-VMXYRSAXSA-N |
| Parent Compound | CHEMBL1178068 |
| Active Moiety | CHEMBL1178068 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
618.9
MW (Da)
7.62
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.01
Ki 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 8.04 | 8.04 | 9.2 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 9.2 | nM | 8.04 | In vitro ability to displace [3H]PAF from PAF receptor in rabbit platelet membra... | - |
| Platelet-activating factor receptor | IC50 | = | 97.0 | nM | 7.01 | In vitro inhibitory activity against PAF-induced aggregation of rabbit platelets | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00174-R | Platelet-activating factor receptor | 2 |
Data from ChEMBL 36 via Core Engine