Compound Detail
CHEMBL35492
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Basic Information
| ChEMBL ID | CHEMBL35492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEUDFLVLULWXJM-ZEQRLZLVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
5.61
ALogP
2
HBA
2
HBD
44.4
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.01 | 8.01 | 9.8 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 7.38 | 7.38 | 41.3 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 9.8 | nM | 8.01 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
| Norepinephrine transporter | Ki | = | 41.3 | nM | 7.38 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 54.0 | nM | 7.27 | Binding affinity towards 5-hydroxytryptamine 2 receptor at 1.0 uM concentration | 3039136 |
| Sodium-dependent serotonin transporter | Ki | = | 100.0 | nM | 7.0 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 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 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine