Compound Detail
CHEMBL3770963
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Basic Information
| ChEMBL ID | CHEMBL3770963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSCOUTAOTYHWQV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3771381 |
| Active Moiety | CHEMBL3771381 |
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
2.04
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 12 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 8.02 | 7.9125 | 9.5 | 4 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.68 | 6.5075 | 208.9 | 4 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.36 | 6.35 | 436.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
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