Compound Detail
CHEMBL3663913
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Basic Information
| ChEMBL ID | CHEMBL3663913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAQQTPCJCLWUMT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
4.94
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.14 | 7.14 | 73.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.03 | 7.03 | 93.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 39.0 | nM | 7.41 | Binding Assay: In order to evaluate the relative affinity of the various compoun... | - |
| Sodium-dependent noradrenaline transporter | Ki | = | 73.0 | nM | 7.14 | Binding Assay: In order to evaluate the relative affinity of the various compoun... | - |
| Sodium-dependent serotonin transporter | Ki | = | 93.0 | nM | 7.03 | Binding Assay: In order to evaluate the relative affinity of the various compoun... | - |
Data from ChEMBL 36 via Core Engine