Compound Detail
CHEMBL3946661
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Basic Information
| ChEMBL ID | CHEMBL3946661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKTUDHGKQCWRDH-FQEVSTJZSA-N |
13
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.83
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 13 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| D(4) dopamine receptor CHEMBL2574 | Ki | 6.88 | 6.88 | 132.0 | 1 |
| D(2) dopamine receptor CHEMBL3427 | Ki | 6.47 | 6.47 | 342.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL4764 | Ki | 6.33 | 6.33 | 468.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL4297 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL5377 | Ki | 6.09 | 6.09 | 817.0 | 1 |
| D(1A) dopamine receptor CHEMBL3071 | Ki | 5.87 | 5.87 | 1353.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL2583 | Ki | 5.84 | 5.84 | 1445.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL2130 | Ki | 5.64 | 5.64 | 2307.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL2822 | Ki | 5.57 | 5.57 | 2720.0 | 1 |
| D(3) dopamine receptor CHEMBL3441 | Ki | 5.55 | 5.55 | 2827.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL3006 | Ki | 5.17 | 5.17 | 6736.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL2486 | Ki | 5.14 | 5.14 | 7211.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine