Compound Detail
CHEMBL81069
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 | CHEMBL81069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHCPBCHTUYSMTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.3
MW (Da)
3.57
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 158.0 | nM | 6.8 | Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells us... | 12161155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161155 | 10.1016/s0960-894x(02)00438-9 | 5-hydroxytryptamine receptor 7 | 2 |
Data from ChEMBL 36 via Core Engine