Compound Detail
CHEMBL2204342
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Basic Information
| ChEMBL ID | CHEMBL2204342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIXBFSFRCBHKLN-MRXNPFEDSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.1 | 6.1 | 791.0 | 2 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.33 | 5.33 | 4715.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 4.44 | 4.44 | 36350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 791.0 | nM | 6.1 | Inhibition of SERT | 21413808 |
| Sodium-dependent serotonin transporter | IC50 | = | 791.0 | nM | 6.1 | Inhibition of human SERT expressed in HEK293 cells assessed as decrease in [3H]-... | 29039662 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 4715.0 | nM | 5.33 | Inhibition of NET | 21413808 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 4715.0 | nM | 5.33 | Inhibition of human NET expressed in MDCK cells assessed as decrease in [3H]-nor... | 29039662 |
| Sodium-dependent dopamine transporter | IC50 | = | 36350.0 | nM | 4.44 | Inhibition of DAT | 21413808 |
| Sodium-dependent dopamine transporter | IC50 | = | 36350.0 | nM | 4.44 | Inhibition of human DAT expressed in CHOK1 cells assessed as decrease in [3H]-do... | 29039662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21413808 | 10.1021/jm1013693 | Sodium-dependent dopamine transporter | 1 |
| 21413808 | 10.1021/jm1013693 | Sodium-dependent noradrenaline transporter | 1 |
| 21413808 | 10.1021/jm1013693 | Sodium-dependent serotonin transporter | 1 |
| 29039662 | 10.1021/acs.jmedchem.7b00718 | Sodium-dependent serotonin transporter | 1 |
| 29039662 | 10.1021/acs.jmedchem.7b00718 | Sodium-dependent noradrenaline transporter | 1 |
| 29039662 | 10.1021/acs.jmedchem.7b00718 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine