Compound Detail
CHEMBL221506
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[N-]=[N+]=Nc1ccc(CCN2CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1I
Basic Information
| ChEMBL ID | CHEMBL221506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMSRCPBQAFBZPH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.5
MW (Da)
6.90
ALogP
4
HBA
0
HBD
58.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.79 | 6.79 | 163.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 163.0 | nM | 6.79 | Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum | 15566284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566284 | 10.1021/jm049670w | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine