Compound Detail
CHEMBL3769581
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 | CHEMBL3769581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTLXESDKVLUUTN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3771395 |
| Active Moiety | CHEMBL3771395 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
3.62
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.97 | 6.875 | 107.2 | 4 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.37 | 6.37 | 426.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 108.0 | nM | 6.97 | Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293... | 26704965 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 107.15 | nM | 6.97 | Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293... | 26704965 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 165.0 | nM | 6.78 | Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293... | 26704965 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 165.96 | nM | 6.78 | Agonist activity at recombinant human 5HT2C-INI receptor expressed in Flp-In-293... | 26704965 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 426.0 | nM | 6.37 | Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cel... | 26704965 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 426.58 | nM | 6.37 | Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cel... | 26704965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26704965 | 10.1021/acs.jmedchem.5b01153 | 5-hydroxytryptamine receptor 2C | 6 |
| 26704965 | 10.1021/acs.jmedchem.5b01153 | 5-hydroxytryptamine receptor 2B | 6 |
| 26704965 | 10.1021/acs.jmedchem.5b01153 | 5-hydroxytryptamine receptor 2A | 6 |
Data from ChEMBL 36 via Core Engine