Compound Detail
CHEMBL4217086
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Basic Information
| ChEMBL ID | CHEMBL4217086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYUXTBMTDMWBRL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
5.91
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 590.0 | nM | 6.23 | Inhibition of SERT in rat brain synaptosomes assessed as reduction in [3H]-5-HT ... | 29138029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29138029 | 10.1016/j.bmcl.2017.11.007 | Sodium-dependent serotonin transporter | 2 |
| 29138029 | 10.1016/j.bmcl.2017.11.007 | 5-hydroxytryptamine receptor 1A | 1 |
| 29138029 | 10.1016/j.bmcl.2017.11.007 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine