Compound Detail
CHEMBL595063
(S)-NORDULOXETINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL595063 |
| Name | (S)-NORDULOXETINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMXLKLOJDLMZFC-INIZCTEOSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
4.37
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.59
Ki 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.59 | 7.59 | 25.6 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.35 | 6.35 | 445.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.62 | 5.62 | 2402.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 18.0 | nM | 7.75 | Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cel... | 19740668 |
| Sodium-dependent serotonin transporter | IC50 | = | 25.6 | nM | 7.59 | Inhibition of [3H]5HT reuptake at human SERT expressed in HEK293 cells | 19740668 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 445.0 | nM | 6.35 | Inhibition of [3H]NE reuptake at human NET expressed in HEK cells | 19740668 |
| Sodium-dependent noradrenaline transporter | Ki | = | 2402.0 | nM | 5.62 | Displacement of [125I]RTI-55 from human recombinant NET expressed in HEK293 cell... | 19740668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19740668 | 10.1016/j.bmc.2009.08.025 | Sodium-dependent dopamine transporter | 2 |
| 19740668 | 10.1016/j.bmc.2009.08.025 | Sodium-dependent serotonin transporter | 2 |
| 19740668 | 10.1016/j.bmc.2009.08.025 | Sodium-dependent noradrenaline transporter | 2 |
| 19740668 | 10.1016/j.bmc.2009.08.025 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
Data from ChEMBL 36 via Core Engine