Compound Detail
CHEMBL1237136
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Basic Information
| ChEMBL ID | CHEMBL1237136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWBRJGZNZCKAEB-AUXXQLBISA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
2.33
ALogP
5
HBA
0
HBD
72.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.0 | 7.2675 | 10.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 10.0 | nM | 8.0 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 10.1 | nM | 8.0 | Affinity against cocaine binding site of dopamine transporter in rat striatum us... | 1895292 |
| Sodium-dependent dopamine transporter | IC50 | = | 137.0 | nM | 6.86 | Inhibition of [3H]cocaine binding to the dopamine transporter. | 1552510 |
| Sodium-dependent dopamine transporter | IC50 | = | 616.0 | nM | 6.21 | Inhibition of dopamine uptake at dopamine transporter. | 1552510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1552510 | 10.1021/jm00084a001 | Sodium-dependent dopamine transporter | 3 |
| 1895292 | 10.1021/jm00113a008 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine