Compound Detail
CHEMBL21362
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Basic Information
| ChEMBL ID | CHEMBL21362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQNDOATZDZDAHT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
4.46
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 4.67 | 4.67 | 21400.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 4.32 | 4.32 | 47800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 550.0 | nM | 6.26 | Inhibitory activity against Dopamine transporter using 0.5 nM [3H]WIN-35428 as r... | 9111298 |
| Norepinephrine transporter | IC50 | = | 21400.0 | nM | 4.67 | Inhibitory activity against Norepinephrine transporter using 0.5 nM [3H]-radioli... | 9111298 |
| Sodium-dependent serotonin transporter | IC50 | = | 47800.0 | nM | 4.32 | Inhibitory activity against Serotonin transporter using 0.2 nM [3H]paroxetine as... | 9111298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111298 | 10.1021/jm960703k | Sodium-dependent dopamine transporter | 1 |
| 9111298 | 10.1021/jm960703k | Sodium-dependent serotonin transporter | 1 |
| 9111298 | 10.1021/jm960703k | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine