Compound Detail
CHEMBL240729
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
COc1ccccc1N1CCN(CCc2cccc(OCCCCCCCCCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL240729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFWSAXZHOITROD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
763.1
MW (Da)
9.01
ALogP
8
HBA
0
HBD
49.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.55 | 7.07 | 28.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 28.3 | nM | 7.55 | Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 c... | 17517509 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 258.0 | nM | 6.59 | Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 c... | 17517509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17517509 | 10.1016/j.bmc.2007.05.010 | 5-hydroxytryptamine receptor 7 | 2 |
Data from ChEMBL 36 via Core Engine