Compound Detail
CHEMBL404834
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Basic Information
| ChEMBL ID | CHEMBL404834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLLMSPMZEFQVLD-LLVKDONJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.42
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 21.0 | nM | 7.68 | Binding affinity at human recombinant histamine H3 receptor expressed in HEK cel... | 18077160 |
| Histamine H3 receptor | Ki | = | 240.0 | nM | 6.62 | 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 | 2 |
Data from ChEMBL 36 via Core Engine