Compound Detail
CHEMBL43078
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 | CHEMBL43078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDLIBCPWPNCFBW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
1.67
ALogP
2
HBA
5
HBD
97.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 7.92 | 7.8967 | 12.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 12.0 | nM | 7.92 | Compound was tested for the inhibition of [3H]GR-65630 binding to 5-hydroxytrypt... | 8831767 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 12.0 | nM | 7.92 | Binding affinity towards 5-hydroxytryptamine 3 receptor | 12217367 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 14.0 | nM | 7.85 | Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma c... | 11412989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12217367 | 10.1016/s0960-894x(02)00514-0 | Serotonin 3 (5-HT3) receptor | 3 |
| 8831767 | 10.1021/jm9603936 | Serotonin 3 (5-HT3) receptor | 1 |
| 8831767 | 10.1021/jm9603936 | Rattus norvegicus | 1 |
| 8831767 | 10.1021/jm9603936 | Oryctolagus cuniculus | 1 |
| 11412989 | 10.1016/s0960-894x(01)00291-8 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine