Compound Detail
CHEMBL1076599
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Basic Information
| ChEMBL ID | CHEMBL1076599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEJKSBJJZVCKLO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
2.84
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 50.12 | nM | 7.3 | Displacement of [125I]Iodoproxyfan from human histamine H3 receptor expressed in... | 20138762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138762 | 10.1016/j.bmcl.2010.01.089 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine