Compound Detail
CHEMBL595180
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Basic Information
| ChEMBL ID | CHEMBL595180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICAQZJCLBRKWBG-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.3
MW (Da)
2.73
ALogP
6
HBA
2
HBD
70.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.94
EC50 2 meas. best 8.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | EC50 | 8.95 | 8.9 | 1.1 | 2 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.94 | 7.93 | 11.5 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.29 | 6.29 | 512.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | EC50 | = | 1.122 | nM | 8.95 | Agonist activity at human histamine H4 receptor expressed in Sf9 cells co-expres... | 19773175 |
| Histamine H4 receptor | EC50 | = | 1.413 | nM | 8.85 | Agonist activity at human histamine H4 receptor expressed in Sf9 cells co-expres... | 19773175 |
| Histamine H4 receptor | Ki | = | 11.48 | nM | 7.94 | Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 ... | 19773175 |
| Histamine H4 receptor | Ki | = | 12.0 | nM | 7.92 | Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 ... | 19773175 |
| Histamine H3 receptor | Ki | = | 512.86 | nM | 6.29 | 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