Compound Detail
CHEMBL4208452
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 | CHEMBL4208452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXJQUSCIXJJMCJ-MRXNPFEDSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.54
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.72
Ki 3 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 9.72 | 9.72 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.78 | 7.78 | 16.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 7.43 | 7.43 | 37.2 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 6.94 | 6.94 | 115.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.71 | 6.71 | 195.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.3 | 6.3 | 506.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 0.19 | nM | 9.72 | Agonist activity at recombinant 5-HT2C receptor (unknown origin) expressed in HE... | 30258529 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 16.7 | nM | 7.78 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 37.2 | nM | 7.43 | Agonist activity at recombinant 5-HT2A receptor (unknown origin) expressed in HE... | 30258529 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 115.0 | nM | 6.94 | Agonist activity at recombinant 5-HT2B receptor (unknown origin) expressed in HE... | 30258529 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 195.0 | nM | 6.71 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 506.0 | nM | 6.3 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2A | 1 |
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2B | 1 |
| 30258529 | 10.1021/acsmedchemlett.8b00328 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine