Compound Detail
CHEMBL294481
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Basic Information
| ChEMBL ID | CHEMBL294481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZUHPVAODZNQKI-RVWIWJKTSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
5.13
ALogP
3
HBA
1
HBD
52.0
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.39 | 7.585 | 4.1 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.99 | 5.99 | 1020.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 4.88 | 4.88 | 13100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.1 | nM | 10.0 | In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cort... | 11459653 |
| Sodium-dependent serotonin transporter | Ki | = | 4.1 | nM | 8.39 | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells | 18644726 |
| Sodium-dependent serotonin transporter | Ki | = | 165.0 | nM | 6.78 | Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells | 18644726 |
| Sodium-dependent dopamine transporter | Ki | = | 370.0 | nM | 6.43 | Displacement of [3H]WIN-35428 from human DAT expressed in HEK293 cells | 18644726 |
| Sodium-dependent noradrenaline transporter | Ki | = | 1020.0 | nM | 5.99 | Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells | 18644726 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 13100.0 | nM | 4.88 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane | 18644726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18644726 | 10.1016/j.bmcl.2008.06.077 | Sodium-dependent serotonin transporter | 3 |
| 11459653 | 10.1016/s0960-894x(01)00334-1 | Sodium-dependent serotonin transporter | 1 |
| 11459653 | 10.1016/s0960-894x(01)00334-1 | 5-hydroxytryptamine receptor 1A | 1 |
| 11459653 | 10.1016/s0960-894x(01)00334-1 | Adrenergic receptor alpha-1 | 1 |
| 18644726 | 10.1016/j.bmcl.2008.06.077 | 5-hydroxytryptamine receptor 1A | 1 |
| 18644726 | 10.1016/j.bmcl.2008.06.077 | Sodium-dependent noradrenaline transporter | 1 |
| 18644726 | 10.1016/j.bmcl.2008.06.077 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine