Compound Detail
CHEMBL4445028
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Basic Information
| ChEMBL ID | CHEMBL4445028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXXLSXLYKYQDSU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597298 |
| Active Moiety | CHEMBL4597298 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
6.17
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length ... | 28797771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28797771 | 10.1016/j.bmc.2017.07.058 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine