Compound Detail
CHEMBL294061
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Basic Information
| ChEMBL ID | CHEMBL294061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWWNABDDYQLERE-UHNVWZDZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
123.2
MW (Da)
0.22
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 5.86 | 5.86 | 1380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1380.0 | nM | 5.86 | Affinity against rat Histamine H3 receptor using [3H]N-alpha-methyl histamine | 12723960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723960 | 10.1021/jm020415q | Histamine H3 receptor | 2 |
| 12723960 | 10.1021/jm020415q | Histamine H1 receptor | 1 |
| 12723960 | 10.1021/jm020415q | Histamine H2 receptor | 1 |
| 12723960 | 10.1021/jm020415q | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine