Compound Detail
CHEMBL326821
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL326821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIESXMXVDNOKQF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
3.09
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Ki 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Histamine H1 receptor CHEMBL4701 | Ki | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 400.0 | nM | 6.4 | In vitro antagonist activity, determined by 50% inhibition of PAF-induced platel... | 9934454 |
| Histamine H1 receptor | Ki | = | 5400.0 | nM | 5.27 | Binding affinity against Histamine H1 receptor using receptor binding assay in r... | 9934454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9934454 | 10.1016/s0960-894x(98)00626-x | Homo sapiens | 1 |
| 9934454 | 10.1016/s0960-894x(98)00626-x | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine