Compound Detail
CHEMBL281288
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Basic Information
| ChEMBL ID | CHEMBL281288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IABCSXAJRAMENM-PWUWZPNHSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
261.8
MW (Da)
4.09
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Ki 2 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 9.23 | 8.92 | 0.6 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 8.92 | 8.735 | 1.2 | 2 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 0.59 | nM | 9.23 | Binding affinity towards dopamine transporter using [3H]-mazindol as radioligand... | 7636872 |
| Sodium-dependent dopamine transporter | IC50 | = | 1.2 | nM | 8.92 | Compound was evaluated for its ability to displace [3H]mazindol binding from rat... | 1469704 |
| Sodium-dependent dopamine transporter | IC50 | = | 1.2 | nM | 8.92 | Ability to displace [3H]-Mazindol from dopamine receptor | - |
| Sodium-dependent dopamine transporter | Ki | = | 2.47 | nM | 8.61 | Inhibition of [3H]dopamine binding to rat striatal synaptosome dopamine transpor... | 7636872 |
| Rattus norvegicus | IC50 | = | 2.8 | nM | 8.55 | Compound was evaluated for its ability to inhibit high-affinity uptake of [3H]do... | 1469704 |
| Sodium-dependent dopamine transporter | IC50 | = | 2.8 | nM | 8.55 | Inhibitory concentration against [3H]dopamine uptake | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469704 | 10.1021/jm00103a015 | Rattus norvegicus | 49 |
| - | 10.1016/S0960-894X(00)80341-8 | Sodium-dependent dopamine transporter | 2 |
| 7636872 | 10.1021/jm00016a012 | Sodium-dependent dopamine transporter | 2 |
| 1469704 | 10.1021/jm00103a015 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine