Compound Detail
CHEMBL168196
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Basic Information
| ChEMBL ID | CHEMBL168196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSVSLMICQRIUKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
3.02
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 19.95 | nM | 7.7 | Binding affinity against H3 receptor in rat cerebral cortex membranes was evalua... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00122-9 | Histamine H3 receptor | 2 |
| - | 10.1016/0960-894X(96)00122-9 | Histamine H2 receptor | 1 |
| - | 10.1016/0960-894X(96)00122-9 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine