Compound Detail
CHEMBL4649679
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
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C(=O)CCC(=O)O)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4649679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMSDKKZIDNNIGC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
4.43
ALogP
4
HBA
2
HBD
99.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.5 | 6.5 | 317.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 317.3 | nM | 6.5 | Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells... | 32285676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32285676 | 10.1021/acs.jmedchem.0c00002 | 5-hydroxytryptamine receptor 2A | 2 |
Data from ChEMBL 36 via Core Engine