Compound Detail
CHEMBL1642890
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Basic Information
| ChEMBL ID | CHEMBL1642890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INFXKGQBKNZHOQ-JSGCOSHPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.2
MW (Da)
4.40
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 46.0 | nM | 7.34 | Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by ... | 21093273 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 124.0 | nM | 6.91 | Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells b... | 21093273 |
| Sodium-dependent dopamine transporter | IC50 | = | 350.0 | nM | 6.46 | Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by sci... | 21093273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21093273 | 10.1016/j.bmc.2010.10.034 | Sodium-dependent serotonin transporter | 1 |
| 21093273 | 10.1016/j.bmc.2010.10.034 | Sodium-dependent noradrenaline transporter | 1 |
| 21093273 | 10.1016/j.bmc.2010.10.034 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine