Compound Detail
CHEMBL4277619
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Basic Information
| ChEMBL ID | CHEMBL4277619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLGLCCMJJSXVOH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.44
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 4.62 | 4.62 | 23800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cells after... | 30293797 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 23800.0 | nM | 4.62 | Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells a... | 30293797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30293797 | 10.1016/j.bmc.2018.09.033 | Sodium-dependent noradrenaline transporter | 2 |
| 30293797 | 10.1016/j.bmc.2018.09.033 | Sodium-dependent serotonin transporter | 2 |
| 30293797 | 10.1016/j.bmc.2018.09.033 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine