Compound Detail
CHEMBL4647697
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CN1CCC(N(Cc2ccc(F)cc2)C(=O)NCc2ccc(OCC(O)CN3CCN(c4nsc5ccccc45)CC3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4647697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDKBYQWMDRGULP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
646.8
MW (Da)
4.80
ALogP
8
HBA
2
HBD
84.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 0.87 | nM | 9.06 | 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