Compound Detail
CHEMBL4086286
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 | CHEMBL4086286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJBXLZWYTOSQRC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4117192 |
| Active Moiety | CHEMBL4117192 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
4.08
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 7.55 | 7.55 | 28.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.25 | 7.25 | 56.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.4 | 6.4 | 398.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 28.18 | nM | 7.55 | Agonist activity at human 5-HT2C-INI receptor isoform expressed in Flp-IN HEK293... | 28657744 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 28.0 | nM | 7.55 | Agonist activity at human 5-HT2C-INI receptor isoform expressed in Flp-IN HEK293... | 28657744 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 56.23 | nM | 7.25 | Agonist activity at human 5-HT2B receptor expressed in Flp-IN HEK293 cells asses... | 28657744 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 56.0 | nM | 7.25 | Agonist activity at human 5-HT2B receptor expressed in Flp-IN HEK293 cells asses... | 28657744 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 398.11 | nM | 6.4 | Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells asses... | 28657744 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 398.0 | nM | 6.4 | Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells asses... | 28657744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28657744 | 10.1021/acs.jmedchem.7b00584 | 5-hydroxytryptamine receptor 2A | 3 |
| 28657744 | 10.1021/acs.jmedchem.7b00584 | 5-hydroxytryptamine receptor 2B | 3 |
| 28657744 | 10.1021/acs.jmedchem.7b00584 | 5-hydroxytryptamine receptor 2C | 3 |
| 28657744 | 10.1021/acs.jmedchem.7b00584 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine