Compound Detail
CHEMBL3330641
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Basic Information
| ChEMBL ID | CHEMBL3330641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAAGZPJPCKMFBD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.68
ALogP
2
HBA
1
HBD
30.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | EC50 | 7.28 | 7.28 | 53.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.68 | 6.68 | 209.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | EC50 | = | 53.1 | nM | 7.28 | Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT r... | 25193229 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 209.0 | nM | 6.68 | Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobili... | 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 |
Data from ChEMBL 36 via Core Engine