Compound Detail
CHEMBL4167380
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Basic Information
| ChEMBL ID | CHEMBL4167380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOXUFGDFRGORBO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.76
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 5.21 | 5.21 | 6212.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 6212.0 | nM | 5.21 | Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor ex... | 29723785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine