Compound Detail
CHEMBL209603
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Basic Information
| ChEMBL ID | CHEMBL209603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJBRKEMHKNOCKI-AHWVRZQESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
5.64
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 8.18 | 8.18 | 6.6 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.84 | 7.84 | 14.5 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.67 | 6.57 | 214.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 6.56 | nM | 8.18 | Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex | 16821783 |
| Sodium-dependent serotonin transporter | Ki | = | 14.5 | nM | 7.84 | Inhibition of SERT-mediated [3H]5-HT uptake in rat cerebral cortex | 16821783 |
| Sodium-dependent dopamine transporter | Ki | = | 214.0 | nM | 6.67 | Inhibition of DAT-mediated [3H]DA uptake in rat striatum | 16821783 |
| Sodium-dependent dopamine transporter | Ki | = | 338.0 | nM | 6.47 | Inhibition of [3H]WIN-35428 binding to rat striatum DAT | 16821783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821783 | 10.1021/jm0601699 | Sodium-dependent dopamine transporter | 2 |
| 16821783 | 10.1021/jm0601699 | Monoamine transporters; Norepinephrine & serotonin | 1 |
| 16821783 | 10.1021/jm0601699 | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 16821783 | 10.1021/jm0601699 | Monoamine transporters; serotonin & dopamine | 1 |
| 16821783 | 10.1021/jm0601699 | Norepinephrine transporter | 1 |
| 16821783 | 10.1021/jm0601699 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine