Compound Detail
CHEMBL380579
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 | CHEMBL380579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZUCQBMKDJKGLW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
5.27
ALogP
4
HBA
0
HBD
68.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | IC50 | = | 64.0 | nM | 7.19 | Inhibitory concentration against [3H]AVP binding to human vasopressin V1a recept... | 16153837 |
| Vasopressin V2 receptor | IC50 | = | 96.0 | nM | 7.02 | Inhibition of [3H]-AVP binding to human V2 receptor | 16153837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16153837 | 10.1016/j.bmcl.2005.08.007 | Vasopressin V1a receptor | 1 |
| 16153837 | 10.1016/j.bmcl.2005.08.007 | Vasopressin V2 receptor | 1 |
| 16153837 | 10.1016/j.bmcl.2005.08.007 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine