Compound Detail
CHEMBL3403331
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Basic Information
| ChEMBL ID | CHEMBL3403331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMUDPLMWQILIOO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.9
MW (Da)
4.50
ALogP
5
HBA
0
HBD
50.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.93 | 5.93 | 1174.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.34 | 5.34 | 4592.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.29 | 5.29 | 5192.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.2 | 5.2 | 6371.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 1174.0 | nM | 5.93 | Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells at 0.... | 25866241 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 4592.0 | nM | 5.34 | Displacement of [3H]-8-OH-DPAT from human cloned 5-HT1A receptor expressed in HE... | 25866241 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5192.0 | nM | 5.29 | Displacement of [3H]-ketanserin from human cloned 5-HT2A receptor expressed in C... | 25866241 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 6371.0 | nM | 5.2 | Displacement of [3H]-5-CT from human cloned 5-HT7R expressed in HEK293 cells at ... | 25866241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25866241 | 10.1016/j.bmcl.2015.03.049 | 5-hydroxytryptamine receptor 6 | 1 |
| 25866241 | 10.1016/j.bmcl.2015.03.049 | 5-hydroxytryptamine receptor 1A | 1 |
| 25866241 | 10.1016/j.bmcl.2015.03.049 | 5-hydroxytryptamine receptor 2A | 1 |
| 25866241 | 10.1016/j.bmcl.2015.03.049 | 5-hydroxytryptamine receptor 7 | 1 |
| 25866241 | 10.1016/j.bmcl.2015.03.049 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine