Compound Detail
CHEMBL554031
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Basic Information
| ChEMBL ID | CHEMBL554031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDMPFGBUXBHFTH-UHFFFAOYSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
167.3
MW (Da)
1.47
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.0
EC50 1 meas. best 7.48
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 7.8 | 7.8 | 15.8 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 7.48 | 7.48 | 33.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 10.0 | nM | 8.0 | Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... | 14640553 |
| Histamine H3 receptor | Kd | = | 15.85 | nM | 7.8 | Tested in vitro for antagonist activity against H3 receptor of guinea pig jejunu... | 7830269 |
| Histamine H3 receptor | EC50 | = | 33.11 | nM | 7.48 | Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... | 14640553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640553 | 10.1021/jm030905y | Histamine H3 receptor | 4 |
| 14667234 | 10.1021/jm030936t | Histamine H1 receptor | 3 |
| 14640553 | 10.1021/jm030905y | Histamine H4 receptor | 3 |
| 7830269 | 10.1021/jm00002a008 | Histamine H3 receptor | 1 |
| 7830269 | 10.1021/jm00002a008 | Histamine H1 receptor | 1 |
| 7830269 | 10.1021/jm00002a008 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine