Compound Detail
CHEMBL59851
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Basic Information
| ChEMBL ID | CHEMBL59851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOHJXJITJCIDSE-BTJKTKAUSA-N |
| Parent Compound | CHEMBL1179094 |
| Active Moiety | CHEMBL1179094 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
4.91
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 125.89 | nM | 6.9 | In vitro antagonistic activity against histamine H3-receptor in an assay with K+... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00361-7 | Histamine H3 receptor | 2 |
| - | 10.1016/0960-894X(96)00361-7 | Histamine H1 receptor | 1 |
| - | 10.1016/0960-894X(96)00361-7 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine