Compound Detail
CHEMBL545771
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Basic Information
| ChEMBL ID | CHEMBL545771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGDWTQSBHYAMGO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL322184 |
| Active Moiety | CHEMBL322184 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.17
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 9.1 | nM | 8.04 | Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-An... | 1433215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433215 | 10.1021/jm00100a018 | Platelet-activating factor receptor | 3 |
Data from ChEMBL 36 via Core Engine