Compound Detail
CHEMBL511973
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
O=S(=O)(c1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL511973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTYMTRMBGCVJFI-WIOPSUGQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
4.05
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.77 | 7.77 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 17.0 | nM | 7.77 | Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex m... | 18554904 |
| Histamine H3 receptor | Ki | = | 16.98 | nM | 7.77 | Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex m... | 18554904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18554904 | 10.1016/j.bmcl.2008.05.086 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine