Compound Detail
CHEMBL1179089
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Basic Information
| ChEMBL ID | CHEMBL1179089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJIRQKCQUPMGIY-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
4.15
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.77 | 7.72 | 17.0 | 3 |
| Histamine H4 receptor CHEMBL3759 | Ki | 7.6 | 7.6 | 25.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 17.0 | nM | 7.77 | Displacement of [125I]iodoproxyfan from human H3 receptor expressed in HEK293 ce... | 27692832 |
| Histamine H3 receptor | Ki | = | 17.0 | nM | 7.77 | Antagonist activity at human histamine H3 receptor | 27692832 |
| Histamine H3 receptor | Ki | = | 24.0 | nM | 7.62 | Antagonist activity at H3 receptor (unknown origin) | 27718472 |
| Histamine H4 receptor | Ki | = | 25.0 | nM | 7.6 | Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition... | 27718472 |
| Histamine H4 receptor | Ki | = | 25.0 | nM | 7.6 | Antagonist activity at H4 receptor in human SH-SY5Y cells assessed as inhibition... | 27718472 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 500.0 | nM | 6.3 | Inhibition of human ERG | 27718472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H4 receptor | 3 |
| 27692832 | 10.1016/j.bmcl.2016.09.049 | Histamine H4 receptor | 2 |
| 27692832 | 10.1016/j.bmcl.2016.09.049 | Histamine H3 receptor | 2 |
| 27692832 | 10.1016/j.bmcl.2016.09.049 | Unchecked | 1 |
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Histamine H3 receptor | 1 |
| 27718472 | 10.1016/j.ejmech.2016.09.074 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine