Compound Detail
CHEMBL2113222
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Basic Information
| ChEMBL ID | CHEMBL2113222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPACETIDTVHRKQ-XMMPIXPASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
3.23
ALogP
5
HBA
0
HBD
45.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.56 | 7.56 | 27.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 5.495 | nM | 8.26 | Binding affinity for human recombinant H3 receptor | 12657274 |
| Histamine H3 receptor | Ki | = | 27.54 | nM | 7.56 | Binding affinity towards rat cortical H3 receptor | 12657274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657274 | 10.1016/s0960-894x(03)00118-5 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine