Compound Detail
CHEMBL4289361
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Basic Information
| ChEMBL ID | CHEMBL4289361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPHHLNWGSNUFFC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
4.48
ALogP
4
HBA
0
HBD
32.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.71 | 8.71 | 1.9 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.6 | 7.6 | 25.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.94 | nM | 8.71 | Binding affinity to 5-HT1A receptor (unknown origin) | 29291438 |
| Sodium-dependent serotonin transporter | Ki | = | 25.3 | nM | 7.6 | Inhibition of serotonin reuptake in SERT (unknown origin) | 29291438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29291438 | 10.1016/j.ejmech.2017.12.063 | 5-hydroxytryptamine receptor 1A | 1 |
| 29291438 | 10.1016/j.ejmech.2017.12.063 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine