Compound Detail
CHEMBL16957
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Basic Information
| ChEMBL ID | CHEMBL16957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYJUMVZTBVUQRD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.87
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.9 | 7.875 | 12.6 | 2 |
| Histamine H2 receptor CHEMBL2882 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 12.59 | nM | 7.9 | Binding affinity against Histamine H3 receptor on Synaptosomes from rat cerebral... | 8676353 |
| Histamine H3 receptor | Ki | = | 14.0 | nM | 7.85 | In vitro antagonistic activity against Histamine H3 receptor on Synaptosomes of ... | 8676353 |
| Histamine H2 receptor | Ki | = | 100000.0 | nM | 4.0 | Binding affinity against H2 receptor of Guinea pig atrium | 8676353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676353 | 10.1021/jm9507688 | Histamine H3 receptor | 3 |
| 8676353 | 10.1021/jm9507688 | Histamine H2 receptor | 1 |
| 8676353 | 10.1021/jm9507688 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine