Compound Detail
CHEMBL1917346
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Basic Information
| ChEMBL ID | CHEMBL1917346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKNQSBIPPCOEBW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
3.35
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.64 | 6.64 | 228.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.52 | 6.52 | 305.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.06 | 5.06 | 8635.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 228.0 | nM | 6.64 | Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells af... | 22001327 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 305.0 | nM | 6.52 | Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid... | 22001327 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 590.0 | nM | 6.23 | Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells aft... | 22001327 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 8635.0 | nM | 5.06 | Displacement of [3H]-ketanserin from 5-HT2A receptor in rat cortex by liquid sci... | 22001327 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22001327 | 10.1016/j.bmc.2011.09.044 | 5-hydroxytryptamine receptor 1A | 1 |
| 22001327 | 10.1016/j.bmc.2011.09.044 | 5-hydroxytryptamine receptor 2A | 1 |
| 22001327 | 10.1016/j.bmc.2011.09.044 | 5-hydroxytryptamine receptor 7 | 1 |
| 22001327 | 10.1016/j.bmc.2011.09.044 | 5-hydroxytryptamine receptor 6 | 1 |
| 22001327 | 10.1016/j.bmc.2011.09.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine