Compound Detail
CHEMBL3330648
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Basic Information
| ChEMBL ID | CHEMBL3330648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGUZSMSUGSSPNJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
206.3
MW (Da)
2.59
ALogP
1
HBA
2
HBD
41.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | EC50 | 7.44 | 7.44 | 36.6 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.61 | 6.61 | 246.0 | 1 |
| Norepinephrine transporter CHEMBL304 | EC50 | 5.27 | 5.27 | 5334.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | EC50 | = | 36.6 | nM | 7.44 | Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT r... | 25193229 |
| Sodium-dependent dopamine transporter | EC50 | = | 150.0 | nM | 6.82 | Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA r... | 25193229 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 246.0 | nM | 6.61 | Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobili... | 25193229 |
| Norepinephrine transporter | EC50 | = | 5334.0 | nM | 5.27 | Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3... | 25193229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25193229 | 10.1016/j.bmcl.2014.07.062 | 5-hydroxytryptamine receptor 2A | 2 |
| 25193229 | 10.1016/j.bmcl.2014.07.062 | Sodium-dependent dopamine transporter | 1 |
| 25193229 | 10.1016/j.bmcl.2014.07.062 | Sodium-dependent serotonin transporter | 1 |
| 25193229 | 10.1016/j.bmcl.2014.07.062 | Norepinephrine transporter | 1 |
| 25193229 | 10.1016/j.bmcl.2014.07.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine