Compound Detail
CHEMBL39259
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Basic Information
| ChEMBL ID | CHEMBL39259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBTXMEWTLQYGBO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
5.03
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.28 | 7.28 | 52.6 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.23 | 7.23 | 58.6 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.06 | 6.06 | 863.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 52.6 | nM | 7.28 | Inhibition of binding of [3H]WIN-35 428 to (DAT) dopamine transporter in rat str... | 12699762 |
| Rattus norvegicus | IC50 | = | 58.6 | nM | 7.23 | Inhibition of [3H]DA dopamine (DA) reuptake activity | 12699762 |
| Sodium-dependent serotonin transporter | IC50 | = | 863.0 | nM | 6.06 | Inhibition of binding of [3H]citalopram to (SERT) serotonin transporter in rat s... | 12699762 |
| Norepinephrine transporter | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of binding of [3H]nisoxetine to (NET) norepinephrine transporter in r... | 12699762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699762 | 10.1016/s0960-894x(03)00169-0 | Sodium-dependent dopamine transporter | 1 |
| 12699762 | 10.1016/s0960-894x(03)00169-0 | Sodium-dependent serotonin transporter | 1 |
| 12699762 | 10.1016/s0960-894x(03)00169-0 | Norepinephrine transporter | 1 |
| 12699762 | 10.1016/s0960-894x(03)00169-0 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine