Compound Detail
CHEMBL5769402
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Basic Information
| ChEMBL ID | CHEMBL5769402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZNPDBNQTFEIMC-UHFFFAOYSA-N |
6
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.52
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.92
Ki 6 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.74 | 8.64 | 1.8 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.66 | 8.405 | 2.2 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.77 | 7.72 | 17.0 | 2 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.92 | 6.845 | 120.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.21 | 5.155 | 6200.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.19 | 5.075 | 6400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine