Compound Detail
CHEMBL606995
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Basic Information
| ChEMBL ID | CHEMBL606995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHQNCBQDCXZZPA-NUWOQIAWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
345.9
MW (Da)
4.58
ALogP
4
HBA
0
HBD
42.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.46 | 5.46 | 3460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 6.0 | nM | 8.22 | Binding affinity towards Dopamine transporter by displacement of [3H]WIN-35428 r... | 8411004 |
| Norepinephrine transporter | IC50 | = | 135.0 | nM | 6.87 | Binding affinity towards norepinephrine transporter by displacement of [3H]nisox... | 8411004 |
| Sodium-dependent serotonin transporter | IC50 | = | 3460.0 | nM | 5.46 | Binding affinity towards serotonin transporter by displacement of [3H]- paroxeti... | 8411004 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411004 | 10.1021/jm00072a007 | Sodium-dependent dopamine transporter | 1 |
| 8411004 | 10.1021/jm00072a007 | Norepinephrine transporter | 1 |
| 8411004 | 10.1021/jm00072a007 | Sodium-dependent serotonin transporter | 1 |
| 8411004 | 10.1021/jm00072a007 | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 8411004 | 10.1021/jm00072a007 | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine