Compound Detail
CHEMBL3946540
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Basic Information
| ChEMBL ID | CHEMBL3946540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAJBOIGVHPCSNX-FQEVSTJZSA-N |
12
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
3.48
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL2574 | Ki | 6.84 | 6.84 | 146.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL2583 | Ki | 6.26 | 6.26 | 551.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 6.26 | 6.26 | 545.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL4297 | Ki | 5.95 | 5.95 | 1121.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL5377 | Ki | 5.89 | 5.89 | 1275.0 | 1 |
| D(2) dopamine receptor CHEMBL3427 | Ki | 5.72 | 5.72 | 1892.0 | 1 |
| D(1A) dopamine receptor CHEMBL3071 | Ki | 5.69 | 5.69 | 2041.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL3006 | Ki | 5.47 | 5.47 | 3386.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL2130 | Ki | 5.38 | 5.38 | 4181.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL2486 | Ki | 5.18 | 5.18 | 6637.0 | 1 |
| D(3) dopamine receptor CHEMBL3441 | Ki | 5.18 | 5.18 | 6645.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL2822 | Ki | 5.04 | 5.04 | 9037.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine