Compound Detail
CHEMBL68085
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 | CHEMBL68085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAFQVGKLSDATNJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
5.40
ALogP
3
HBA
1
HBD
54.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 1.5 | nM | 8.82 | Inhibition of [3H]AVP binding to Dawley rat kidney medullary vasopressin V2 rece... | 12798333 |
| Vasopressin V2 receptor | IC50 | = | 1.5 | nM | 8.82 | Displacement of [3H]AVP from human V2 receptor expressed in murine fibroblast ce... | 9651149 |
| Vasopressin V1a receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of [3H]AVP binding to Dawley rat hepatic vasopressin V1a receptor. | 12798333 |
| Vasopressin V1a receptor | IC50 | = | 20.0 | nM | 7.7 | Displacement of [3H]AVP from vasopressin receptor (V1a) from human platelet memb... | 9651149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12798333 | 10.1016/s0960-894x(03)00388-3 | Vasopressin V1a receptor | 1 |
| 12798333 | 10.1016/s0960-894x(03)00388-3 | Vasopressin V2 receptor | 1 |
| 12798333 | 10.1016/s0960-894x(03)00388-3 | Rattus norvegicus | 1 |
| 9651149 | 10.1021/jm980179c | Vasopressin V1a receptor | 1 |
| 9651149 | 10.1021/jm980179c | Vasopressin V2 receptor | 1 |
| 9651149 | 10.1021/jm980179c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine