Compound Detail
CHEMBL559447
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Basic Information
| ChEMBL ID | CHEMBL559447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWIZVLLSPWGXFD-IRLDBZIGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
4.15
ALogP
3
HBA
0
HBD
30.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.15 | 7.15 | 70.8 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 6.27 | 6.27 | 537.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 70.79 | nM | 7.15 | Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... | 19588934 |
| Histamine H3 receptor | Ki | = | 70.8 | nM | 7.15 | Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... | 19588934 |
| Histamine H3 receptor | Ki | = | 537.03 | nM | 6.27 | Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamin... | 19588934 |
| Histamine H3 receptor | Ki | = | 537.0 | nM | 6.27 | 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