Compound Detail
CHEMBL2402899
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 | CHEMBL2402899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHISKEZJFUUGOR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
2.29
ALogP
5
HBA
2
HBD
84.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.3
EC50 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 8.5 | 8.5 | 3.2 | 1 |
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 4.4 | 4.4 | 39810.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | EC50 | = | 3.162 | nM | 8.5 | Agonist activity at human recombinant 5HT4 receptor assessed as cAMP accumulatio... | 23756062 |
| 5-hydroxytryptamine receptor 4 | Ki | = | 5.012 | nM | 8.3 | Binding affinity to human recombinant 5HT4 receptor | 23756062 |
| 5-hydroxytryptamine receptor 3A | Ki | = | 39810.72 | nM | 4.4 | Binding affinity to human recombinant 5HT3 receptor | 23756062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23756062 | 10.1016/j.bmcl.2013.05.018 | 5-hydroxytryptamine receptor 4 | 3 |
| 23756062 | 10.1016/j.bmcl.2013.05.018 | Liver microsomes | 1 |
| 23756062 | 10.1016/j.bmcl.2013.05.018 | Caco-2 | 1 |
| 23756062 | 10.1016/j.bmcl.2013.05.018 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine