Compound Detail
CHEMBL84244
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Basic Information
| ChEMBL ID | CHEMBL84244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLAHJYBITWOMNU-FJPMACBPSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.87
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.86 | 6.86 | 139.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.43 | 6.43 | 374.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 4.6 | 4.6 | 25107.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 139.0 | nM | 6.86 | Compound was evaluated for the inhibition of [3H]WIN-35428l binding to dopamine ... | 1619622 |
| Sodium-dependent dopamine transporter | IC50 | = | 139.0 | nM | 6.86 | Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal ... | 1588560 |
| Sodium-dependent serotonin transporter | IC50 | = | 374.0 | nM | 6.43 | Inhibition of [3H]paroxetine binding to Serotonin transporter | 1619622 |
| Norepinephrine transporter | IC50 | = | 25107.0 | nM | 4.6 | Compound was evaluated for the inhibition of [3H]mazindol binding to norepinephr... | 1619622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1619622 | 10.1021/jm00091a019 | Sodium-dependent dopamine transporter | 1 |
| 1619622 | 10.1021/jm00091a019 | Norepinephrine transporter | 1 |
| 1619622 | 10.1021/jm00091a019 | Sodium-dependent serotonin transporter | 1 |
| 1619622 | 10.1021/jm00091a019 | Monoamine transporters; Norepinephrine & dopamine | 1 |
| 1619622 | 10.1021/jm00091a019 | Unchecked | 1 |
| 1588560 | 10.1021/jm00088a017 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine