Compound Detail
CHEMBL5282002
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Basic Information
| ChEMBL ID | CHEMBL5282002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIHUWBXGYFTMSY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.63
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 3700.0 | nM | 5.43 | Binding affinity to human H3 receptor assessed as inhibition constant incubated ... | 36542960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36542960 | 10.1016/j.bmc.2022.117132 | Acetylcholinesterase | 2 |
| 36542960 | 10.1016/j.bmc.2022.117132 | Cholinesterase | 2 |
| 36542960 | 10.1016/j.bmc.2022.117132 | Histamine H3 receptor | 2 |
| 36542960 | 10.1016/j.bmc.2022.117132 | D(3) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine