Compound Detail
CHEMBL6024071
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Basic Information
| ChEMBL ID | CHEMBL6024071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIZLZTXHTCSSNE-ILBGXUMGSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
4.13
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.84 | 7.84 | 14.3 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 1.0 | nM | 9.0 | Uptake Assay Protocol: SERT: This protocol was designed to measure inhibition of... | - |
| Sodium-dependent noradrenaline transporter | Ki | = | 2.4 | nM | 8.62 | Uptake Assay Protocol: NET: This protocol was designed to measure inhibition of ... | - |
| Sodium-dependent dopamine transporter | Ki | = | 14.3 | nM | 7.84 | Uptake Assay Protocol: DAT: This protocol was designed to measure inhibition of ... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 29000.0 | nM | 4.54 | Activity Assay: HERG: The pre- and post-compound hERG current was evoked by a si... | - |
Data from ChEMBL 36 via Core Engine