Compound Detail
CHEMBL143272
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Basic Information
| ChEMBL ID | CHEMBL143272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROTYCHLMKZTPEY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.76
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Ki 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
| Histamine H1 receptor CHEMBL4701 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 820.0 | nM | 6.09 | Concentration required to cause 50% inhibition of platelet activating factor (PA... | 1671420 |
| Histamine H1 receptor | Ki | = | 2900.0 | nM | 5.54 | Binding affinity to histamine H1 receptor in rat brain membranes was evaluated u... | 1671420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1671420 | 10.1021/jm00105a069 | Platelet-activating factor receptor | 2 |
| 1671420 | 10.1021/jm00105a069 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine