Compound Detail
CHEMBL4064609
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 | CHEMBL4064609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVMHGNCIMARWAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
1.75
ALogP
9
HBA
1
HBD
87.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.18 | 5.18 | 6660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 1110.0 | nM | 5.96 | Antagonist activity at 5-HT2A receptor (unknown origin) after 10 mins by calcium... | 28774576 |
| D(2) dopamine receptor | IC50 | = | 6660.0 | nM | 5.18 | Antagonist activity at dopamine D2 receptor (unknown origin) after 60 mins by Ul... | 28774576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28774576 | 10.1016/j.bmc.2017.07.040 | 5-hydroxytryptamine receptor 1A | 1 |
| 28774576 | 10.1016/j.bmc.2017.07.040 | D(2) dopamine receptor | 1 |
| 28774576 | 10.1016/j.bmc.2017.07.040 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine