Compound Detail
CHEMBL174088
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 | CHEMBL174088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZWPHROGQGOESZ-SYEBVZJNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
3.49
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 10.3 | 10.3 | 0.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.05 | nM | 10.3 | In vitro competitive binding versus [3H]citalopram in murine kidney cells transf... | 12620070 |
| Sodium-dependent dopamine transporter | Ki | = | 3.47 | nM | 8.46 | In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cell... | 12620070 |
| Sodium-dependent noradrenaline transporter | Ki | = | 24.0 | nM | 7.62 | In vitro competitive binding versus [3H]- nisoxatine in murine kidney cells tran... | 12620070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620070 | 10.1021/jm0100180 | Rattus norvegicus | 122 |
| 12620070 | 10.1021/jm0100180 | Sodium-dependent dopamine transporter | 2 |
| 12620070 | 10.1021/jm0100180 | Sodium-dependent noradrenaline transporter | 2 |
| 12620070 | 10.1021/jm0100180 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine