Compound Detail
CHEMBL5290568
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 | CHEMBL5290568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUYJRMFAFYNTRY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
4.26
ALogP
6
HBA
0
HBD
60.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 7.64 | 7.64 | 23.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 133.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 105.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 257.45 | nM | Rattus norvegicus |
| F | 9.0 | % | Rattus norvegicus |
| T1/2 | 1.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | EC50 | = | 23.0 | nM | 7.64 | Partial agonist activity at human 5HT4E receptor expressed in CHO cells assessed... | 34251799 |
| 5-hydroxytryptamine receptor 4 | EC50 | = | 23.0 | nM | 7.64 | Cell-Based Assay: A stable CHO cell line expressing recombinant human 5-HT4 rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34251799 | 10.1021/acs.jmedchem.1c00703 | ADMET | 9 |
| 34251799 | 10.1021/acs.jmedchem.1c00703 | 5-hydroxytryptamine receptor 4 | 2 |
| 34251799 | 10.1021/acs.jmedchem.1c00703 | Cytochrome P450 3A4 | 2 |
| 34251799 | 10.1021/acs.jmedchem.1c00703 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine