Compound Detail
CHEMBL453433
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Basic Information
| ChEMBL ID | CHEMBL453433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOTBOYFKPMRBAG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
124.2
MW (Da)
1.75
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 25.12 | nM | 7.6 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 18433114 |
| Histamine H3 receptor | EC50 | = | 31.62 | nM | 7.5 | Agonist activity at human histamine H3 receptor assessed as beta galactosidase a... | 18433114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18433114 | 10.1021/jm7014149 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine