Compound Detail
CHEMBL83296
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Basic Information
| ChEMBL ID | CHEMBL83296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXNDRYLYGFMZSC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.57
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 10.0 | nM | 8.0 | Compound was tested for its ability to inhibit the neurotransmitter dopamine-DA ... | - |
| Sodium-dependent serotonin transporter | IC50 | = | 1500.0 | nM | 5.82 | Compound was tested for its ability to inhibit the neurotransmitter serotonin-5-... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10053-1 | Unchecked | 2 |
| - | 10.1016/S0960-894X(97)10053-1 | Sodium-dependent dopamine transporter | 1 |
| - | 10.1016/S0960-894X(97)10053-1 | Sodium-dependent serotonin transporter | 1 |
| - | 10.1016/S0960-894X(97)10053-1 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine