Compound Detail
CHEMBL1917344
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Basic Information
| ChEMBL ID | CHEMBL1917344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXZKZLXMMCDKMO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
2.73
ALogP
6
HBA
1
HBD
74.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.79 | 5.79 | 1640.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.67 | 5.67 | 2159.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 37.0 | nM | 7.43 | Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampus by liquid... | 22001327 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 90.0 | nM | 7.05 | Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells af... | 22001327 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1640.0 | nM | 5.79 | Displacement of [3H]-ketanserin from 5-HT2A receptor in rat cortex by liquid sci... | 22001327 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 2159.0 | nM | 5.67 | Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells aft... | 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