Compound Detail
CHEMBL380733
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 | CHEMBL380733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSRZYUKCFUGODB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
5.50
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 6.38 | 6.38 | 413.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 413.0 | nM | 6.38 | Displacement of [3H]AVP from human V2 receptor transfected in LV2 cells | 16297621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16297621 | 10.1016/j.bmcl.2005.10.107 | Rattus norvegicus | 2 |
| 16297621 | 10.1016/j.bmcl.2005.10.107 | Vasopressin V1a receptor | 1 |
| 16297621 | 10.1016/j.bmcl.2005.10.107 | Vasopressin V2 receptor | 1 |
Data from ChEMBL 36 via Core Engine