Compound Detail
CHEMBL502129
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 | CHEMBL502129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXULFWHQRUUESN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.14
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 100.0 | nM | 7.0 | Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK29... | 18571404 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 510.0 | nM | 6.29 | Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HE... | 18571404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571404 | 10.1016/j.bmcl.2008.06.001 | Caco-2 | 2 |
| 18571404 | 10.1016/j.bmcl.2008.06.001 | Sodium-dependent serotonin transporter | 1 |
| 18571404 | 10.1016/j.bmcl.2008.06.001 | Sodium-dependent dopamine transporter | 1 |
| 18571404 | 10.1016/j.bmcl.2008.06.001 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine