Compound Detail
CHEMBL64860
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O=C(O)C(=O)O.O=C(c1cn(C(=O)OCc2ccccc2)c2ccccc12)[C@@H]1CSC(c2cccnc2)N1
Basic Information
| ChEMBL ID | CHEMBL64860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRSMPEQXPMALJX-CHXZROHQSA-N |
| Parent Compound | CHEMBL1179208 |
| Active Moiety | CHEMBL1179208 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
4.81
ALogP
7
HBA
1
HBD
73.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 3.0 | nM | 8.52 | Antagonist activity against platelet activating factor (PAF) receptor in rabbit ... | 8027984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027984 | 10.1021/jm00039a015 | Platelet-activating factor receptor | 1 |
| 8027984 | 10.1021/jm00039a015 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine