Compound Detail
CHEMBL380584
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Basic Information
| ChEMBL ID | CHEMBL380584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEDMKHPISJCIHK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.66
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.8
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 5.0 | nM | 8.3 | Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in guinea... | 16246552 |
| Histamine H3 receptor | Kd | = | 15.85 | nM | 7.8 | Antagonist potency against histamine H3 receptor in an electrically stimulated g... | 16246552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16246552 | 10.1016/j.bmcl.2005.09.076 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine