Compound Detail
CHEMBL127875
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CCCCCCCCCCCCCCCCOCC1OCC(COCCCCCC[n+]2ccsc2)O1.Cc1ccc(S(=O)(=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL127875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBRCDBRKVDIYQB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180490 |
| Active Moiety | CHEMBL1180490 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.9
MW (Da)
7.85
ALogP
5
HBA
0
HBD
40.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 1300.0 | nM | 5.89 | 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