Compound Detail
CHEMBL609908
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Basic Information
| ChEMBL ID | CHEMBL609908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQVFTFGHDAAJKQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
4.20
ALogP
2
HBA
1
HBD
42.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 9.38 | 8.9067 | 0.4 | 3 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 0.42 | nM | 9.38 | Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells | 20034793 |
| Sodium-dependent serotonin transporter | IC50 | = | 1.1 | nM | 8.96 | Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells | 20034793 |
| Sodium-dependent serotonin transporter | IC50 | = | 4.2 | nM | 8.38 | Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells | 20034793 |
| Sodium-dependent dopamine transporter | IC50 | = | 620.0 | nM | 6.21 | Displacement of [I125]RTI-55 from human DAT transfected in human HEK293 cells | 20034793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20034793 | 10.1016/j.bmcl.2009.12.043 | Sodium-dependent serotonin transporter | 3 |
| 20034793 | 10.1016/j.bmcl.2009.12.043 | Unchecked | 2 |
| 20034793 | 10.1016/j.bmcl.2009.12.043 | Sodium-dependent dopamine transporter | 1 |
| 20034793 | 10.1016/j.bmcl.2009.12.043 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine