Compound Detail
CHEMBL4209952
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 | CHEMBL4209952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJPXAVVKRGAFRV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
4.13
ALogP
3
HBA
0
HBD
46.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | Ki | 6.48 | 6.48 | 334.0 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.24 | 6.24 | 573.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 334.0 | nM | 6.48 | Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes ... | 30199637 |
| Oxytocin receptor | Ki | = | 340.0 | nM | 6.47 | Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes... | 30199637 |
| Vasopressin V1a receptor | Ki | = | 573.0 | nM | 6.24 | Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes... | 30199637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Vasopressin V1a receptor | 3 |
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Vasopressin V2 receptor | 3 |
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Oxytocin receptor | 3 |
Data from ChEMBL 36 via Core Engine