Compound Detail
CHEMBL307956
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Basic Information
| ChEMBL ID | CHEMBL307956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKSUTFUZSGZMOS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
2.87
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 4.0 | nM | 8.4 | Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]ketanserin | 15081025 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 24.0 | nM | 7.62 | Binding affinity towards 5-hydroxytryptamine 2C receptor using [3H]mesulergine a... | 15081025 |
| Sodium-dependent serotonin transporter | Ki | = | 3900.0 | nM | 5.41 | Binding affinity towards Serotonin transporter using [3H]paroxetine as radioliga... | 15081025 |
| D(2) dopamine receptor | Ki | = | 5000.0 | nM | 5.3 | Binding affinity towards dopamine receptor D2 using [3H]spiperone as radioligand | 15081025 |
| Sodium-dependent noradrenaline transporter | Ki | = | 10000.0 | nM | 5.0 | Binding affinity towards Norepinephrine transporter using [3H]nisoxitine as radi... | 15081025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081025 | 10.1016/j.bmcl.2004.02.014 | 5-hydroxytryptamine receptor 2A | 1 |
| 15081025 | 10.1016/j.bmcl.2004.02.014 | 5-hydroxytryptamine receptor 2C | 1 |
| 15081025 | 10.1016/j.bmcl.2004.02.014 | D(2) dopamine receptor | 1 |
| 15081025 | 10.1016/j.bmcl.2004.02.014 | Sodium-dependent serotonin transporter | 1 |
| 15081025 | 10.1016/j.bmcl.2004.02.014 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine