Compound Detail
CHEMBL2113005
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Basic Information
| ChEMBL ID | CHEMBL2113005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARDBCTUWVKDCPI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
3.19
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 18.0 | nM | 7.75 | Inhibitory concentration against serotonin transporter protein (SERT) expressed ... | 15745809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745809 | 10.1016/j.bmcl.2005.01.059 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine