Compound Detail
CHEMBL452877
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Basic Information
| ChEMBL ID | CHEMBL452877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFCAEZIVWPWJSG-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.10
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.51 | 9.51 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.31 | nM | 9.51 | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in... | 19286376 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19286376 | 10.1016/j.bmcl.2009.02.110 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine