Compound Detail
CHEMBL218790
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Basic Information
| ChEMBL ID | CHEMBL218790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIWQRVPGHLYPQJ-JEJOPICUSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.81
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.33
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.33 | 8.2375 | 4.7 | 4 |
| Histamine receptor H3 CHEMBL5299 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.43 | 5.43 | 3698.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 4.7 | nM | 8.33 | Binding affinity at histamine H3 receptor by hH3-[35S]GTPgamma[S] binding assay | 16908150 |
| Histamine H3 receptor | Ki | = | 5.0 | nM | 8.3 | Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor ... | 21802950 |
| Histamine receptor H3 | Ki | = | 6.3 | nM | 8.2 | Binding affinity to rhesus monkey histamine H3 receptor | 21062081 |
| Histamine H3 receptor | Ki | = | 6.7 | nM | 8.17 | Binding affinity to human histamine H3 receptor | 21062081 |
| Histamine H3 receptor | Ki | = | 7.0 | nM | 8.15 | Binding affinity to histamine H3 receptor | 19456097 |
| Unchecked | Ki | = | 18.0 | nM | 7.75 | Binding affinity to pig histamine H3 receptor | 21062081 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 3698.63 | nM | 5.43 | Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding... | 21802950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908150 | 10.1016/j.bmcl.2006.07.093 | Histamine H3 receptor | 1 |
| 16908150 | 10.1016/j.bmcl.2006.07.093 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 19456097 | 10.1021/jm900409x | Histamine H3 receptor | 1 |
| 21802950 | 10.1016/j.bmcl.2011.07.006 | Histamine H3 receptor | 1 |
| 21802950 | 10.1016/j.bmcl.2011.07.006 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21802950 | 10.1016/j.bmcl.2011.07.006 | No relevant target | 1 |
| 21062081 | 10.1021/jm100064d | Histamine H3 receptor | 1 |
| 21062081 | 10.1021/jm100064d | Rattus norvegicus | 1 |
| 21062081 | 10.1021/jm100064d | Unchecked | 1 |
| 21062081 | 10.1021/jm100064d | Histamine receptor H3 | 1 |
| 21062081 | 10.1021/jm100064d | Rhesus monkey | 1 |
Data from ChEMBL 36 via Core Engine