Compound Detail
CHEMBL3986651
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Basic Information
| ChEMBL ID | CHEMBL3986651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROKNCKQMECSPFV-NRFANRHFSA-N |
12
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
2.84
ALogP
5
HBA
0
HBD
34.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 12 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 6.76 | 6.76 | 174.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL2583 | Ki | 6.18 | 6.18 | 658.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL5377 | Ki | 5.85 | 5.85 | 1399.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL4297 | Ki | 5.7 | 5.7 | 1976.0 | 1 |
| D(4) dopamine receptor CHEMBL2574 | Ki | 5.47 | 5.47 | 3362.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL3006 | Ki | 5.42 | 5.42 | 3763.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL2130 | Ki | 5.19 | 5.19 | 6448.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL2822 | Ki | 5.08 | 5.08 | 8350.0 | 1 |
| D(1A) dopamine receptor CHEMBL3071 | Ki | 5.08 | 5.08 | 8366.0 | 1 |
| D(3) dopamine receptor CHEMBL3441 | Ki | 5.08 | 5.08 | 8286.0 | 1 |
| D(1B) dopamine receptor CHEMBL2737 | Ki | 5.07 | 5.07 | 8526.0 | 1 |
| D(2) dopamine receptor CHEMBL3427 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine