Compound Detail
CHEMBL488209
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
CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5C(=O)N(C)C[C@@]54CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL488209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLAZTJOMKRZOCO-IRJMEDETSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
3.61
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.61 | 7.61 | 24.5 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.42 | 7.42 | 38.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 24.55 | nM | 7.61 | Displacement of [3H]NAMH from histamine H3 receptor in rat cortex | 18683917 |
| Histamine H3 receptor | Ki | = | 24.5 | nM | 7.61 | Displacement of [3H]NAMH from histamine H3 receptor in rat cortex | 18683917 |
| Histamine H3 receptor | Ki | = | 38.02 | nM | 7.42 | Displacement of [3H]NAMH from human full length histamine H3 receptor expressed ... | 18683917 |
| Histamine H3 receptor | Ki | = | 38.0 | nM | 7.42 | Displacement of [3H]NAMH from human full length histamine H3 receptor expressed ... | 18683917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18683917 | 10.1021/jm8003625 | Histamine H3 receptor | 4 |
Data from ChEMBL 36 via Core Engine