Compound Detail
CHEMBL450178
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 | CHEMBL450178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMXHZUNYGHHQSC-MNMPKAIFSA-N |
| Parent Compound | CHEMBL1186108 |
| Active Moiety | CHEMBL1186108 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
171.2
MW (Da)
1.73
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.87 | 6.87 | 136.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.73 | 6.73 | 185.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 136.0 | nM | 6.87 | Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as c... | 19284718 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 185.0 | nM | 6.73 | Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as c... | 19284718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19284718 | 10.1021/jm801354e | 5-hydroxytryptamine receptor 2B | 2 |
| 19284718 | 10.1021/jm801354e | 5-hydroxytryptamine receptor 2C | 2 |
| 19284718 | 10.1021/jm801354e | 5-hydroxytryptamine receptor 2A | 2 |
| 19284718 | 10.1021/jm801354e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine