Compound Detail
CHEMBL511276
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O=S(=O)(Cc1ccccc1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL511276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLAIGUGLSKRKCK-AZGAKELHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.19
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.93 | 7.925 | 11.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 11.75 | nM | 7.93 | Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex m... | 18554904 |
| Histamine H3 receptor | Ki | = | 12.0 | nM | 7.92 | 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