Compound Detail
CHEMBL414668
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 | CHEMBL414668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAUMSVMHUGIVJE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
4.21
ALogP
1
HBA
2
HBD
27.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | IC50 | = | 2.0 | nM | 8.7 | Displacement of [3H]LSD binding to cloned human 5-hydroxytryptamine 6 receptor e... | 16055331 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 50.0 | nM | 7.3 | Displacement of [3H]-ketanserin from human 5HT2A receptor | 23542166 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 100.0 | nM | 7.0 | Displacement of [3H]-mesulergine from human 5HT2C receptor | 23542166 |
| Unchecked | IC50 | = | 270.0 | nM | 6.57 | Displacement of [3H]-GR65630 from 5HT3 receptor in rat/mouse NG108 cells | 23542166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23542166 | 10.1016/j.ejmech.2013.03.006 | Unchecked | 2 |
| 16055331 | 10.1016/j.bmcl.2005.06.067 | 5-hydroxytryptamine receptor 6 | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | Sodium-dependent serotonin transporter | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 7 | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 4 | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 2C | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 2A | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 1B | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine