Compound Detail
CHEMBL182590
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 | CHEMBL182590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBFBEYXWJLASJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.70
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | Ki | 9.1 | 9.1 | 0.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 18.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
| T1/2 | 60.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | Ki | = | 0.7943 | nM | 9.1 | Inhibitory constant for human cloned 5-HT4 receptor | 15745824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745824 | 10.1016/j.bmcl.2005.01.039 | ADMET | 3 |
| 15745824 | 10.1016/j.bmcl.2005.01.039 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine