Compound Detail
CHEMBL204269
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Basic Information
| ChEMBL ID | CHEMBL204269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSLJYKCMMISVMB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
385.6
MW (Da)
4.90
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO c... | 16337790 |
| D(2) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]spiperone from the cloned human D2 receptor expressed in CHO... | 16337790 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 400.0 | nM | 6.4 | Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa... | 16337790 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1800.0 | nM | 5.75 | Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed i... | 16337790 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 7700.0 | nM | 5.11 | Displacement of [3H]5-HT from the cloned human 5-HT1B receptor expressed in CHO ... | 16337790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16337790 | 10.1016/j.bmcl.2005.11.067 | 5-hydroxytryptamine receptor 7 | 2 |
| 16337790 | 10.1016/j.bmcl.2005.11.067 | 5-hydroxytryptamine receptor 1A | 1 |
| 16337790 | 10.1016/j.bmcl.2005.11.067 | 5-hydroxytryptamine receptor 2A | 1 |
| 16337790 | 10.1016/j.bmcl.2005.11.067 | 5-hydroxytryptamine receptor 1B | 1 |
| 16337790 | 10.1016/j.bmcl.2005.11.067 | D(2) dopamine receptor | 1 |
| 16337790 | 10.1016/j.bmcl.2005.11.067 | Adrenergic receptor alpha-1 | 1 |
| 16337790 | 10.1016/j.bmcl.2005.11.067 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine