Compound Detail
CHEMBL3092829
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Basic Information
| ChEMBL ID | CHEMBL3092829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPBNCIYYRAHDEJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
3.79
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.5012 | nM | 9.3 | Antagonist activity at human histamine H3 receptor expressed in CHOK1 cells asse... | 24269482 |
| Histamine H3 receptor | Ki | = | 5.012 | nM | 8.3 | Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat ce... | 24269482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Histamine H3 receptor | 2 |
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Nucleic Acid | 1 |
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Blood | 1 |
| 24269482 | 10.1016/j.bmcl.2013.09.090 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine