Compound Detail
CHEMBL495212
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Basic Information
| ChEMBL ID | CHEMBL495212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBUQDLLDTGCUFS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
4.64
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 6.67 | 6.67 | 215.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.67 | 6.67 | 215.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.12 | 6.12 | 768.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 19.0 | nM | 7.72 | Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed i... | 18456500 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 124.0 | nM | 6.91 | Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO ce... | 18456500 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 215.0 | nM | 6.67 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 18456500 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 215.0 | nM | 6.67 | Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed ... | 18456500 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 768.0 | nM | 6.12 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells | 18456500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 7 | 1 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 1A | 1 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 2A | 1 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 2C | 1 |
| 18456500 | 10.1016/j.bmc.2008.04.023 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine