Compound Detail
CHEMBL1743804
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Basic Information
| ChEMBL ID | CHEMBL1743804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGNHOXAUYJLPTL-APTPAJQOSA-N |
| Parent Compound | CHEMBL33644 |
| Active Moiety | CHEMBL33644 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.99
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.97 | 6.97 | 106.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.34 | 6.34 | 452.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 106.0 | nM | 6.97 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
| D(2) dopamine receptor | Ki | = | 400.0 | nM | 6.4 | Binding affinity towards Dopamine receptor D2 | 3039136 |
| D(1A) dopamine receptor | Ki | = | 452.0 | nM | 6.34 | Binding affinity towards Dopamine receptor D1 | 3039136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3039136 | 10.1021/jm00391a028 | Mus musculus | 3 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent dopamine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Rattus norvegicus | 1 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent serotonin transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | D(1A) dopamine receptor | 1 |
| 3039136 | 10.1021/jm00391a028 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine