Compound Detail
CHEMBL1743819
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1743819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVBXWCZDWVVCOR-IDVLALEDSA-N |
| Parent Compound | CHEMBL35859 |
| Active Moiety | CHEMBL35859 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.38
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 9.09 | 9.09 | 0.8 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.0 | 8.0 | 10.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.48 | 7.48 | 33.1 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.17 | 6.17 | 675.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 0.81 | nM | 9.09 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
| Sodium-dependent dopamine transporter | Ki | = | 10.1 | nM | 8.0 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
| Sodium-dependent serotonin transporter | Ki | = | 33.1 | nM | 7.48 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 3039136 |
| Adrenergic receptor alpha-1 | Ki | = | 675.0 | nM | 6.17 | Binding affinity towards alpha-1 adrenergic receptor | 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 | Norepinephrine transporter | 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 |
| 3039136 | 10.1021/jm00391a028 | Adrenergic receptor alpha-1 | 1 |
| 3039136 | 10.1021/jm00391a028 | Adrenergic receptor alpha-2 | 1 |
| 3039136 | 10.1021/jm00391a028 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine