Compound Detail
CHEMBL390432
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Basic Information
| ChEMBL ID | CHEMBL390432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSNYUBDIPFPZKJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
3.54
ALogP
2
HBA
1
HBD
42.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 9.47 | 9.135 | 0.3 | 2 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 0.34 | nM | 9.47 | Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells | 17391962 |
| Sodium-dependent serotonin transporter | IC50 | = | 1.6 | nM | 8.8 | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells | 17391962 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 57.0 | nM | 7.24 | Displacement of [125I]Nisoxetine from human NET expressed in HEK293 cells | 17391962 |
| Sodium-dependent dopamine transporter | IC50 | = | 97.0 | nM | 7.01 | Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells | 17391962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent serotonin transporter | 2 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent dopamine transporter | 2 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent noradrenaline transporter | 2 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Rattus norvegicus | 2 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Monoamine transporters; serotonin & dopamine | 1 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Serotonin and norepinephrine transporters (SERT/NET) | 1 |
Data from ChEMBL 36 via Core Engine