Compound Detail
CHEMBL36548
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL36548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSNXZLAGINTKEX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1178663 |
| Active Moiety | CHEMBL1178663 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
6.04
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 530.0 | nM | 6.28 | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing C... | 12672253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672253 | 10.1021/jm021084k | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine