Compound Detail
CHEMBL402377
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Basic Information
| ChEMBL ID | CHEMBL402377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSTMOSWQMHZABO-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.4
MW (Da)
3.87
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 7.05 | 7.05 | 89.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 14.0 | nM | 7.85 | Binding affinity at human recombinant histamine H3 receptor expressed in HEK cel... | 18077160 |
| Histamine H3 receptor | Ki | = | 89.0 | nM | 7.05 | Binding affinity at rat recombinant histamine H3 receptor in rat cortical membra... | 18077160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077160 | 10.1016/j.bmcl.2007.10.067 | Histamine H3 receptor | 4 |
| 18077160 | 10.1016/j.bmcl.2007.10.067 | Histamine H1 receptor | 1 |
| 18077160 | 10.1016/j.bmcl.2007.10.067 | Histamine H2 receptor | 1 |
| 18077160 | 10.1016/j.bmcl.2007.10.067 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine