Compound Detail
CHEMBL1092331
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 | CHEMBL1092331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHJWYUAMRUHBEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
3.56
ALogP
5
HBA
0
HBD
45.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | IC50 | = | 10000.0 | nM | 5.0 | Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor a... | 20299215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20299215 | 10.1016/j.bmcl.2010.02.097 | ADMET | 1 |
| 20299215 | 10.1016/j.bmcl.2010.02.097 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine