Compound Detail
CHEMBL190292
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Basic Information
| ChEMBL ID | CHEMBL190292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKVRXTUFMMGFAA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.66
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.65 | 6.3067 | 223.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 223.87 | nM | 6.65 | Inhibitory constant towards 5-hydroxytryptamine 2A receptor (5-HT2A) | 15878662 |
| Unchecked | Ki | = | 281.84 | nM | 6.55 | Inhibitory constant towards dopamine D2 receptor was determined | 15878662 |
| Unchecked | Ki | = | 1905.46 | nM | 5.72 | Inhibitory constant towards 5-hydroxytryptamine 2C receptor (5-HT2C) | 15878662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15878662 | 10.1016/j.bmcl.2005.04.022 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine