Compound Detail
CHEMBL418038
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 | CHEMBL418038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNBYGRIYUJBWBP-ZWKOTPCHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.07
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.72 | 7.72 | 19.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.07 | 7.07 | 84.5 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 7.04 | 7.04 | 90.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 19.1 | nM | 7.72 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 3039136 |
| Sodium-dependent dopamine transporter | Ki | = | 84.5 | nM | 7.07 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
| Norepinephrine transporter | Ki | = | 90.2 | nM | 7.04 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine