Compound Detail
CHEMBL593103
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 | CHEMBL593103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPAHWVAWJGJPSL-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
1.56
ALogP
6
HBA
2
HBD
70.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.37
EC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.68 | 7.36 | 20.9 | 2 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.37 | 7.355 | 42.7 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.49 | 6.49 | 323.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | EC50 | = | 20.89 | nM | 7.68 | Agonist activity at human histamine H4 receptor expressed in Sf9 cells co-expres... | 19773175 |
| Histamine H4 receptor | Ki | = | 42.66 | nM | 7.37 | Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 ... | 19773175 |
| Histamine H4 receptor | Ki | = | 46.0 | nM | 7.34 | Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 ... | 19773175 |
| Histamine H4 receptor | EC50 | = | 91.2 | nM | 7.04 | Agonist activity at human histamine H4 receptor expressed in Sf9 cells co-expres... | 19773175 |
| Histamine H3 receptor | Ki | = | 323.59 | nM | 6.49 | Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... | 19773175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19773175 | 10.1016/j.bmc.2009.08.059 | Histamine H4 receptor | 6 |
| 19773175 | 10.1016/j.bmc.2009.08.059 | Histamine H1 receptor | 1 |
| 19773175 | 10.1016/j.bmc.2009.08.059 | Histamine H2 receptor | 1 |
| 19773175 | 10.1016/j.bmc.2009.08.059 | Histamine H3 receptor | 1 |
| 19773175 | 10.1016/j.bmc.2009.08.059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine