Compound Detail
CHEMBL220789
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 | CHEMBL220789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMURJUIWIJZOLD-JTQLQIEISA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.58
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.84
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.84 | 5.84 | 1450.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 5.8 | 5.8 | 1580.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.5 | 5.5 | 3190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 1450.0 | nM | 5.84 | Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cell... | 17315987 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 1580.0 | nM | 5.8 | Activity at human 5HT2C expressed in HEK293E cells assessed as elevation of intr... | 17315987 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 3190.0 | nM | 5.5 | Displacement of [3H]LSD from human recombinant 5HT2B expressed in HEK293E cells | 17315987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2A | 3 |
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2B | 3 |
| 17315987 | 10.1021/jm0612968 | 5-hydroxytryptamine receptor 2C | 3 |
Data from ChEMBL 36 via Core Engine