Compound Detail
CHEMBL382768
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Basic Information
| ChEMBL ID | CHEMBL382768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGRVUDWDZKZCAA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
3.15
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Ki 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.13 | 5.13 | 7460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of [3H] serotonin uptake into human SERT expressed in HEK293 cells | 16480278 |
| Sodium-dependent serotonin transporter | Ki | = | 7460.0 | nM | 5.13 | Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells | 16480278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480278 | 10.1021/jm050797a | Sodium-dependent serotonin transporter | 2 |
| 16480278 | 10.1021/jm050797a | Sodium-dependent dopamine transporter | 1 |
| 16480278 | 10.1021/jm050797a | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine