Compound Detail
CHEMBL2430680
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Basic Information
| ChEMBL ID | CHEMBL2430680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJNVPBUKXATNNR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.6
MW (Da)
4.64
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.07 | 7.07 | 85.6 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 7.0 | 7.0 | 99.6 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.69 | 5.69 | 2033.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 85.6 | nM | 7.07 | Displacement of [3H]imipramin from human recombinant SERT over-expressed in HEK2... | 24012181 |
| Sodium-dependent dopamine transporter | IC50 | = | 99.6 | nM | 7.0 | Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 ... | 24012181 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 2033.0 | nM | 5.69 | Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog ... | 24012181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24012181 | 10.1016/j.bmcl.2013.08.062 | Sodium-dependent dopamine transporter | 3 |
| 24012181 | 10.1016/j.bmcl.2013.08.062 | Sodium-dependent noradrenaline transporter | 3 |
| 24012181 | 10.1016/j.bmcl.2013.08.062 | Sodium-dependent serotonin transporter | 3 |
Data from ChEMBL 36 via Core Engine