Compound Detail
CHEMBL5756427
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Basic Information
| ChEMBL ID | CHEMBL5756427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJZNJPXRRCEVDH-NHCUHLMSSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
4.22
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.29
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.8 | 7.8 | 15.7 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.33 | 7.33 | 46.7 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 5.1 | nM | 8.29 | Uptake Assay Protocol: SERT: This protocol was designed to measure inhibition of... | - |
| Sodium-dependent noradrenaline transporter | Ki | = | 15.7 | nM | 7.8 | Uptake Assay Protocol: NET: This protocol was designed to measure inhibition of ... | - |
| Sodium-dependent dopamine transporter | Ki | = | 46.7 | nM | 7.33 | Uptake Assay Protocol: DAT: This protocol was designed to measure inhibition of ... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 4300.0 | nM | 5.37 | Activity Assay: HERG: The pre- and post-compound hERG current was evoked by a si... | - |
Data from ChEMBL 36 via Core Engine