Compound Detail
CHEMBL172482
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 | CHEMBL172482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYDBLCSLKNTEJL-ZIHBUVQPSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.53
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.04 | 6.3383 | 92.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 92.0 | nM | 7.04 | Inhibition of [3H]GBR-12935 binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 270.0 | nM | 6.57 | Inhibition of [3H]cocaine binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 303.0 | nM | 6.52 | Potency for the inhibition of [3H]WIN-35428 binding to the dopamine transporter | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 414.0 | nM | 6.38 | Inhibition of [3H]cocaine binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 1210.0 | nM | 5.92 | Inhibition of [3H]mazindol binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of [3H]dopamine uptake at dopamine transporter. | 1552510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 6 |
Data from ChEMBL 36 via Core Engine