Compound Detail
CHEMBL550017
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Basic Information
| ChEMBL ID | CHEMBL550017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKJOBCVTFRQGBA-BEFAXECRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.62
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 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 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.03 | 7.03 | 93.3 | 2 |
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 methyl histamine from human cloned histamine H3 rece... | 19588934 |
| Histamine H3 receptor | Ki | = | 25.1 | nM | 7.6 | Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... | 19588934 |
| Histamine H3 receptor | Ki | = | 93.33 | nM | 7.03 | Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamin... | 19588934 |
| Histamine H3 receptor | Ki | = | 93.3 | nM | 7.03 | Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamin... | 19588934 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19588934 | 10.1021/jm900480x | Histamine H3 receptor | 4 |
Data from ChEMBL 36 via Core Engine