Compound Detail
CHEMBL4226858
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Basic Information
| ChEMBL ID | CHEMBL4226858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIYOQJXTQFLIER-HHHXNRCGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
3.87
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.25 | 7.25 | 56.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 56.23 | nM | 7.25 | Antagonist activity at human recombinant 5-HT2A receptor expressed in CHOK1 cell... | 29555153 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 56.6 | nM | 7.25 | Antagonist activity at human recombinant 5-HT2A receptor expressed in CHOK1 cell... | 29555153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29555153 | 10.1016/j.bmcl.2018.02.058 | 5-hydroxytryptamine receptor 2A | 4 |
Data from ChEMBL 36 via Core Engine