Compound Detail
CHEMBL1743811
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Basic Information
| ChEMBL ID | CHEMBL1743811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRYOIZKHXHRZNX-APTPAJQOSA-N |
| Parent Compound | CHEMBL35395 |
| Active Moiety | CHEMBL35395 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
3.55
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 10.0 | nM | 8.0 | Inhibition of norepinephrine (NE) into rat brain synaptosomes | 6747993 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 29.0 | nM | 7.54 | Binding affinity towards 5-hydroxytryptamine 2 receptor | 3039136 |
| Sodium-dependent dopamine transporter | Ki | = | 30.0 | nM | 7.52 | Inhibition of dopamine (DA) uptake into rat brain synaptosomes | 6747993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3039136 | 10.1021/jm00391a028 | Mus musculus | 3 |
| 6747993 | 10.1021/jm00374a001 | Mus musculus | 2 |
| 6747993 | 10.1021/jm00374a001 | Sodium-dependent dopamine transporter | 1 |
| 6747993 | 10.1021/jm00374a001 | Norepinephrine transporter | 1 |
| 6747993 | 10.1021/jm00374a001 | Sodium-dependent serotonin transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent dopamine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Norepinephrine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent serotonin transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | D(2) dopamine receptor | 1 |
| 3039136 | 10.1021/jm00391a028 | Adrenergic receptor alpha-1 | 1 |
| 3039136 | 10.1021/jm00391a028 | Serotonin 1 (5-HT1) receptor | 1 |
| 3039136 | 10.1021/jm00391a028 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine