Compound Detail
CHEMBL609043
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Basic Information
| ChEMBL ID | CHEMBL609043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFCBAWWBMPFNRM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
353.9
MW (Da)
3.24
ALogP
5
HBA
0
HBD
37.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.96 | 6.46 | 11.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.02 | 6.02 | 950.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.92 | 5.915 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex membrane | 20363131 |
| Unchecked | Ki | = | 950.0 | nM | 6.02 | Displacement of [3H]nemonapride from D2-like receptor in Wistar rat striatum hom... | 20153652 |
| Unchecked | Ki | = | 950.0 | nM | 6.02 | Displacement of [3H]YM-9151-2 from D2 like receptor in rat striatal membrane | 20363131 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1200.0 | nM | 5.92 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane | 20363131 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1220.0 | nM | 5.91 | Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus hom... | 20153652 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 10910.0 | nM | 4.96 | Displacement of [3H]ketanserin from 5HT2A receptor in Wistar rat cortex homogena... | 20153652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153652 | 10.1016/j.bmc.2010.01.040 | Unchecked | 4 |
| 20153652 | 10.1016/j.bmc.2010.01.040 | 5-hydroxytryptamine receptor 1A | 1 |
| 20153652 | 10.1016/j.bmc.2010.01.040 | 5-hydroxytryptamine receptor 2A | 1 |
| 20363131 | 10.1016/j.bmcl.2010.03.034 | Unchecked | 1 |
| 20363131 | 10.1016/j.bmcl.2010.03.034 | 5-hydroxytryptamine receptor 1A | 1 |
| 20363131 | 10.1016/j.bmcl.2010.03.034 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine