Compound Detail
CHEMBL3092344
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Basic Information
| ChEMBL ID | CHEMBL3092344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYIPGOSBTWWNBJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
4.84
ALogP
3
HBA
2
HBD
47.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 43.0 | nM | 7.37 | Displacement of [3H]paroxetine from SERT in rat cortical membranes after 6 mins ... | 24262884 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 4500.0 | nM | 5.35 | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cel... | 24262884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24262884 | 10.1016/j.bmc.2013.10.036 | 5-hydroxytryptamine receptor 1A | 1 |
| 24262884 | 10.1016/j.bmc.2013.10.036 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine