Compound Detail
CHEMBL5798072
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Basic Information
| ChEMBL ID | CHEMBL5798072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBKRQGWGLHOYPX-UHFFFAOYSA-N |
6
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.78
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.24
Ki 6 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.64 | 8.255 | 2.3 | 2 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.42 | 8.205 | 3.8 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.11 | 7.035 | 78.0 | 2 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.24 | 6.17 | 580.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.09 | 4.955 | 8100.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.7 | 4.59 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine