Compound Detail
CHEMBL5953823
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Basic Information
| ChEMBL ID | CHEMBL5953823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVISWMYZKGUEEG-ILBGXUMGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.66
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.85 | 6.85 | 141.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 2.6 | nM | 8.59 | Uptake Assay Protocol: SERT: This protocol was designed to measure inhibition of... | - |
| Sodium-dependent noradrenaline transporter | Ki | = | 3.9 | nM | 8.41 | Uptake Assay Protocol: NET: This protocol was designed to measure inhibition of ... | - |
| Sodium-dependent dopamine transporter | Ki | = | 141.0 | nM | 6.85 | Uptake Assay Protocol: DAT: This protocol was designed to measure inhibition of ... | - |
Data from ChEMBL 36 via Core Engine