Compound Detail
CHEMBL237861
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Basic Information
| ChEMBL ID | CHEMBL237861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCHACIZNQYTKBT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.7
MW (Da)
6.76
ALogP
4
HBA
0
HBD
15.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.42 | 8.03 | 3.8 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 3.8 | nM | 8.42 | Binding affinity at human SERT | 17765543 |
| Sodium-dependent serotonin transporter | Ki | = | 4.3 | nM | 8.37 | Binding affinity at rat SERT | 17765543 |
| Sodium-dependent serotonin transporter | Ki | = | 22.7 | nM | 7.64 | Binding affinity at human histamine H3 | 17765543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17765543 | 10.1016/j.bmcl.2007.08.017 | Sodium-dependent serotonin transporter | 3 |
Data from ChEMBL 36 via Core Engine