Compound Detail
CHEMBL325909
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Basic Information
| ChEMBL ID | CHEMBL325909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGLIUOLEDZMNSF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.8
MW (Da)
3.89
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL4701 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Platelet-activating factor receptor CHEMBL250 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 21.0 | nM | 7.68 | Binding affinity to histamine H1 receptor in rat brain membranes was evaluated u... | 1671420 |
| Platelet-activating factor receptor | IC50 | = | 13000.0 | nM | 4.89 | Concentration required to cause 50% inhibition of platelet activating factor (PA... | 1671420 |
| Homo sapiens | IC50 | = | 14000.0 | nM | 4.85 | In vitro antagonist activity, determined by 50% inhibition of PAF-induced platel... | 9934454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1671420 | 10.1021/jm00105a069 | Platelet-activating factor receptor | 1 |
| 1671420 | 10.1021/jm00105a069 | Histamine H1 receptor | 1 |
| 9934454 | 10.1016/s0960-894x(98)00626-x | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine