Compound Detail
CHEMBL101245
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Basic Information
| ChEMBL ID | CHEMBL101245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPVHNNBFVUFYHE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.01
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of PAF-induced platelet aggregation | 8411016 |
| Platelet-activating factor receptor | IC50 | = | 20.0 | nM | 7.7 | Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-An... | 1433215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411016 | 10.1021/jm00072a019 | Platelet-activating factor receptor | 3 |
| 1433215 | 10.1021/jm00100a018 | Platelet-activating factor receptor | 3 |
Data from ChEMBL 36 via Core Engine