Compound Detail
CHEMBL5874145
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5874145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQLYGEWSCCJRMT-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
4.83
ALogP
6
HBA
1
HBD
48.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
EC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 6.92 | 6.92 | 119.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | EC50 | = | 0.602 | nM | 9.22 | 5-HT1A Receptor Agonism Activity Test: The 5-HT1A receptor agonism activity test... | - |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 75.0 | nM | 7.12 | 5-HT2A Receptor Antagonism Activity Test: The 5-HT2A receptor antagonism activit... | - |
| D(2) dopamine receptor | IC50 | = | 119.0 | nM | 6.92 | D2 Receptor Antagonism Activity Test: The D2 receptor antagonism activity test (... | - |
Data from ChEMBL 36 via Core Engine