Compound Detail
CHEMBL4527011
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Basic Information
| ChEMBL ID | CHEMBL4527011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNIRITULTPTAQW-KNQAVFIVSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
3.04
ALogP
5
HBA
0
HBD
41.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.72 | 8.71 | 1.9 | 4 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.05 | 5.05 | 8830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1.9 | nM | 8.72 | Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 r... | 27445168 |
| Histamine H3 receptor | Ki | = | 1.9 | nM | 8.72 | Antagonist activity at human H3R expressed in rat C6 cells incubated for 20 mins... | 28797771 |
| Histamine H3 receptor | Ki | = | 1.995 | nM | 8.7 | Antagonist activity at histamine H3 receptor (unknown origin) | 34695709 |
| Histamine H3 receptor | Ki | = | 1.995 | nM | 8.7 | Antagonist activity at human Histamine H3 receptor expressed in human SK-N-MC ce... | 38393759 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 8830.0 | nM | 5.05 | Displacement of [3H]Dofetilide from human ERG human expressed in HEK293 cells in... | 28797771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27445168 | 10.1016/j.bmcl.2016.04.054 | Histamine H3 receptor | 1 |
| 28797771 | 10.1016/j.bmc.2017.07.058 | Histamine H3 receptor | 1 |
| 28797771 | 10.1016/j.bmc.2017.07.058 | Histamine H4 receptor | 1 |
| 28797771 | 10.1016/j.bmc.2017.07.058 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 34695709 | 10.1016/j.bmc.2021.116462 | Histamine H3 receptor | 1 |
| 38393759 | 10.1021/acs.jmedchem.3c02117 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine