Compound Detail
CHEMBL200453
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Basic Information
| ChEMBL ID | CHEMBL200453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQEBRRGWINRLJB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.9
MW (Da)
3.74
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.3
Ki 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| Histamine H3 receptor CHEMBL5076 | Ki | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 5.012 | nM | 8.3 | Antagonist potency against histamine H3 receptor in an electrically stimulated g... | 16246552 |
| Histamine H3 receptor | Ki | = | 17.0 | nM | 7.77 | Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in guinea... | 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