Compound Detail
CHEMBL2386727
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Basic Information
| ChEMBL ID | CHEMBL2386727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCNBMJDSPWNQQE-QHCPKHFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.72
ALogP
6
HBA
1
HBD
48.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 10.49 | 10.49 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.032 | nM | 10.49 | Binding affinity to histamine H3 receptor in rat cortical membranes | 24900691 |
| Histamine H3 receptor | Ki | = | 0.032 | nM | 10.49 | Biological Assay: To determine the effectiveness of representative compounds of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900691 | 10.1021/ml400105b | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine