Compound Detail
CHEMBL55097
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Basic Information
| ChEMBL ID | CHEMBL55097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZUMFPXNHOWEJA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
5.35
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL5032 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.3 | 7.3 | 49.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 3.4 | nM | 8.47 | Inhibition of [3H]WIN-35428 binding to dopamine transporter using of Cynomolgus ... | 9191960 |
| Sodium-dependent serotonin transporter | IC50 | = | 49.9 | nM | 7.3 | Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus mo... | 9191960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191960 | 10.1021/jm960868t | Sodium-dependent dopamine transporter | 1 |
| 9191960 | 10.1021/jm960868t | Sodium-dependent serotonin transporter | 1 |
| 9191960 | 10.1021/jm960868t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine