Compound Detail
CHEMBL594477
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 | CHEMBL594477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVNSLBIXJYZCCB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.10
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.4
Ki 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.95 | 6.95 | 113.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 113.0 | nM | 6.95 | Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT | 19914063 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 400.0 | nM | 6.4 | Agonist activity against human 5HT2C receptor by FLIPR assay | 19914063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 4 |
| 19914063 | 10.1016/j.bmcl.2009.10.112 | 5-hydroxytryptamine receptor 2C | 3 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine