Compound Detail
CHEMBL5965453
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Basic Information
| ChEMBL ID | CHEMBL5965453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCMHHQKXWQOCNL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.79
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 4.86 | 4.86 | 13900.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 4.68 | 4.68 | 20900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 13900.0 | nM | 4.86 | Dopamine Transporter Binding Assay: Brains from male Sprague-Dawley rats weighin... | - |
| Sodium-dependent serotonin transporter | Ki | = | 20900.0 | nM | 4.68 | Serotonin Transporter Binding Assay: Brains from male Sprague-Dawley rats weighi... | - |
Data from ChEMBL 36 via Core Engine