Compound Detail
CHEMBL4226407
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
COc1c(OCCOCCOCCOCCOCCOCCOc2cccc(C(=O)C3CCN(CCc4ccc(F)cc4)CC3)c2OC)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4226407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFGNHNABYOVOQY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
961.1
MW (Da)
7.80
ALogP
13
HBA
0
HBD
123.7
PSA (Ų)
0.03
QED
3
Ro5 Violations
32
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.4 | 7.4 | 39.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | IC50 | = | 39.81 | nM | 7.4 | Antagonist activity at human recombinant 5-HT2A receptor expressed in CHOK1 cell... | 29555153 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 39.8 | nM | 7.4 | 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 | 2 |
Data from ChEMBL 36 via Core Engine