Compound Detail
CHEMBL88563
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 | CHEMBL88563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFEGPFDFZHEVOA-IOCOHYSWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
1.40
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.63 | 6.46 | 235.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 235.0 | nM | 6.63 | Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mu... | 11472216 |
| Sodium-dependent dopamine transporter | IC50 | = | 518.0 | nM | 6.29 | Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mu... | 11472216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472216 | 10.1021/jm0101242 | Sodium-dependent dopamine transporter | 2 |
| 11472216 | 10.1021/jm0101242 | Sodium-dependent serotonin transporter | 2 |
| 11472216 | 10.1021/jm0101242 | Monoamine transporters; serotonin & dopamine | 2 |
Data from ChEMBL 36 via Core Engine