Compound Detail
CHEMBL124886
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 | CHEMBL124886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUUCOPFJGNAARF-UHFFFAOYSA-N |
4
Targets
4
Activities
4
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.38
ALogP
4
HBA
0
HBD
23.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.19
IC50 1 meas. best 9.36
Kd 1 meas. best 7.19
Ki 1 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 9.36 | 9.36 | 0.4 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 9.36 | 9.36 | 0.4 | 1 |
| NG108-15 CHEMBL613828 | EC50 | 8.19 | 8.19 | 6.5 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL3666 | Kd | 7.19 | 7.19 | 64.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 0.44 | nM | 9.36 | Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor of rat cor... | 9357534 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.44 | nM | 9.36 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19831400 |
| NG108-15 | EC50 | = | 6.5 | nM | 8.19 | Effective concentration for uptake of [14C]guanidinium on NG108-15 cells | 9357534 |
| 5-hydroxytryptamine receptor 3A | Kd | = | 64.57 | nM | 7.19 | Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right a... | 19831400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357534 | 10.1021/jm970376w | Serotonin 3 (5-HT3) receptor | 3 |
| 9357534 | 10.1021/jm970376w | NG108-15 | 2 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 3A | 2 |
| 19831400 | 10.1021/jm901126m | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine