Compound Detail
CHEMBL27336
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Basic Information
| ChEMBL ID | CHEMBL27336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTJFHBTZULUOQN-PWUWZPNHSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
263.8
MW (Da)
4.32
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Ki 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.66 | 8.645 | 2.2 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 8.59 | 8.525 | 2.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 2.17 | nM | 8.66 | Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand... | 7636872 |
| Sodium-dependent dopamine transporter | Ki | = | 2.35 | nM | 8.63 | Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transpor... | 7636872 |
| Sodium-dependent dopamine transporter | IC50 | = | 2.6 | nM | 8.59 | Inhibitory concentration against [3H]dopamine uptake | - |
| Sodium-dependent dopamine transporter | IC50 | = | 3.5 | nM | 8.46 | Displacement of [3H]mazindol from dopamine transporter | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80341-8 | Sodium-dependent dopamine transporter | 2 |
| 7636872 | 10.1021/jm00016a012 | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine