Compound Detail
CHEMBL3094128
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Basic Information
| ChEMBL ID | CHEMBL3094128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVVIXBQVVAAVHK-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
3.67
ALogP
6
HBA
1
HBD
63.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 10.6 | 10.6 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.02512 | nM | 10.6 | Antagonist activity at human histamine H3 receptor expressed in CHOK1 cells asse... | 24161834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24161834 | 10.1016/j.bmcl.2013.09.089 | Rattus norvegicus | 1 |
| 24161834 | 10.1016/j.bmcl.2013.09.089 | Albumin | 1 |
| 24161834 | 10.1016/j.bmcl.2013.09.089 | Histamine H1 receptor | 1 |
| 24161834 | 10.1016/j.bmcl.2013.09.089 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine