Compound Detail
CHEMBL343529
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Basic Information
| ChEMBL ID | CHEMBL343529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMBARRJMPVVQEZ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.68
ALogP
2
HBA
2
HBD
51.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
EC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 8.04 | 8.04 | 9.0 | 1 |
| Serotonin (5-HT) receptor CHEMBL2094123 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.39 | 5.39 | 4114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | EC50 | = | 9.02 | nM | 8.04 | Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobili... | 25193229 |
| Serotonin (5-HT) receptor | IC50 | = | 220.0 | nM | 6.66 | Evaluated for inhibition of specific [3H]5-HT receptor binding in rat cortex. | 6581313 |
| Sodium-dependent serotonin transporter | IC50 | = | 4114.0 | nM | 5.39 | Inhibition of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT ... | 25193229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034126 | 10.1021/jm051076e | Amine oxidase [copper-containing] 3 | 2 |
| 25193229 | 10.1016/j.bmcl.2014.07.062 | 5-hydroxytryptamine receptor 2A | 2 |
| 6581313 | 10.1021/jm00367a008 | Serotonin (5-HT) receptor | 1 |
| 25193229 | 10.1016/j.bmcl.2014.07.062 | Sodium-dependent dopamine transporter | 1 |
| 25193229 | 10.1016/j.bmcl.2014.07.062 | Norepinephrine transporter | 1 |
| 25193229 | 10.1016/j.bmcl.2014.07.062 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine