Compound Detail
CHEMBL3883955
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Basic Information
| ChEMBL ID | CHEMBL3883955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCSJNNBJTFWLCL-UHFFFAOYSA-N |
14
Targets
15
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
4.44
ALogP
7
HBA
0
HBD
73.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 15 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 9.3 | 9.3 | 0.5 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.23 | 8.23 | 5.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.23 | 8.23 | 5.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.45 | 7.45 | 35.7 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.47 | 6.47 | 337.2 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.96 | 5.96 | 1098.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.8 | 5.8 | 1584.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.8 | 5.8 | 1584.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.7 | 5.7 | 1998.0 | 1 |
| Histamine H1 receptor CHEMBL3943 | Ki | 5.7 | 5.7 | 1998.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine