Compound Detail
CHEMBL4173854
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Basic Information
| ChEMBL ID | CHEMBL4173854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJTRFDKRAHDWGU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
3.97
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.8 | 7.795 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 16.0 | nM | 7.8 | Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor ex... | 29723785 |
| Histamine H3 receptor | Ki | = | 16.1 | nM | 7.79 | Inhibition of human H3 receptor assessed as inhibition constant incubated for 90... | 36542960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Histamine H3 receptor | 1 |
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Mus musculus | 1 |
| 36542960 | 10.1016/j.bmc.2022.117132 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine