Compound Detail
CHEMBL416544
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 | CHEMBL416544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUENHUWMNYJIAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.09
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 4.0 | nM | 8.4 | Binding affinity at 5-hydroxytryptamine 2 receptor by the inhibition of binding ... | 8487257 |
| Sodium-dependent serotonin transporter | IC50 | = | 5.0 | nM | 8.3 | Inhibition of [3H]peroxitine binding to rat cortical membranes as measure of inh... | 8487257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8487257 | 10.1021/jm00061a010 | Sodium-dependent serotonin transporter | 1 |
| 8487257 | 10.1021/jm00061a010 | Serotonin 2 (5-HT2) receptor | 1 |
| 8487257 | 10.1021/jm00061a010 | Adrenergic receptor alpha-1 | 1 |
| 8487257 | 10.1021/jm00061a010 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine