Compound Detail
CHEMBL476838
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Basic Information
| ChEMBL ID | CHEMBL476838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFYAUZPZSBAQNA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.94
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.73 | 5.73 | 1844.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.47 | 5.47 | 3418.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.29 | 5.29 | 5170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liqui... | 19329329 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 1844.0 | nM | 5.73 | Inhibition of human cloned 5HT2B receptor by competitive binding experiment | 19329329 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 3418.0 | nM | 5.47 | Inhibition of human cloned 5HT1D receptor by competitive binding experiment | 19329329 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 5170.0 | nM | 5.29 | Inhibition of human cloned 5HT7 receptor by competitive binding experiment | 19329329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 1A | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 2A | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 2C | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | No relevant target | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 1B | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 1D | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 1E | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 2B | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 3A | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 5A | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 6 | 1 |
| 19329329 | 10.1016/j.bmc.2009.03.021 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine