Compound Detail
CHEMBL3416063
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 | CHEMBL3416063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNIAWGCBQVLINM-XQKZEKTMSA-N |
| Parent Compound | CHEMBL3546958 |
| Active Moiety | CHEMBL3546958 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.45
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 8.38 | 8.38 | 4.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 6.43 | 6.43 | 374.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 4.2 | nM | 8.38 | Agonist activity at human 5-HT2C receptor expressed in HEK293 cells assessed as ... | 25633969 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 374.0 | nM | 6.43 | Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as ... | 25633969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25633969 | 10.1021/jm5019274 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 6 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 2A | 2 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 2C | 2 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 6 | 1 |
| 25633969 | 10.1021/jm5019274 | Cytochrome P450 3A4 | 1 |
| 25633969 | 10.1021/jm5019274 | Unchecked | 1 |
| 25633969 | 10.1021/jm5019274 | Mus musculus | 1 |
| 25633969 | 10.1021/jm5019274 | D(3) dopamine receptor | 1 |
| 25633969 | 10.1021/jm5019274 | Alpha-2C adrenergic receptor | 1 |
| 25633969 | 10.1021/jm5019274 | Alpha-2B adrenergic receptor | 1 |
| 25633969 | 10.1021/jm5019274 | Alpha-2A adrenergic receptor | 1 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 7 | 1 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 1A | 1 |
| 25633969 | 10.1021/jm5019274 | Cytochrome P450 2B6 | 1 |
| 25633969 | 10.1021/jm5019274 | Cytochrome P450 2C19 | 1 |
| 25633969 | 10.1021/jm5019274 | Cytochrome P450 2C9 | 1 |
| 25633969 | 10.1021/jm5019274 | Cytochrome P450 2D6 | 1 |
| 25633969 | 10.1021/jm5019274 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine