Compound Detail
CHEMBL160559
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Basic Information
| ChEMBL ID | CHEMBL160559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRVRNLKREJUWJW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
511.7
MW (Da)
8.92
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.38 | 5.38 | 4160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 113.0 | nM | 6.95 | Inhibition of 3[H] WIN-35 428 binding to Dopamine transporter (DAT) | 11806716 |
| Norepinephrine transporter | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of [3H]- nisoxatine binding to Norepinephrine transporter | 11806716 |
| Sodium-dependent serotonin transporter | IC50 | = | 4160.0 | nM | 5.38 | Inhibition of [3H]- citalopram binding to Serotonin transporter | 11806716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806716 | 10.1021/jm010316x | Sodium-dependent dopamine transporter | 1 |
| 11806716 | 10.1021/jm010316x | Sodium-dependent serotonin transporter | 1 |
| 11806716 | 10.1021/jm010316x | Norepinephrine transporter | 1 |
| 11806716 | 10.1021/jm010316x | Rattus norvegicus | 1 |
| 11806716 | 10.1021/jm010316x | Monoamine transporters; serotonin & dopamine | 1 |
| 11806716 | 10.1021/jm010316x | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 11806716 | 10.1021/jm010316x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine