Compound Detail
CHEMBL2314218
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Basic Information
| ChEMBL ID | CHEMBL2314218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPKLDBBNSFWOFA-KIWWSDKQSA-N |
| Parent Compound | CHEMBL23034 |
| Active Moiety | CHEMBL23034 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.3
MW (Da)
4.09
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 10.89 | 10.89 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.013 | nM | 10.89 | Binding affinity to SERT (unknown origin) | 23265880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23265880 | 10.1016/j.bmcl.2012.11.043 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine