Compound Detail
CHEMBL396844
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COc1ccccc1N1CCN(CCc2cccc(OCCCCCCOc3cccc(CCN4CCN(c5ccccc5OC)CC4)c3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL396844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLPMBEZUOFMVBR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
707.0
MW (Da)
7.45
ALogP
8
HBA
0
HBD
49.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.8 | 8.085 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 c... | 17517509 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 42.6 | nM | 7.37 | 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