Compound Detail
CHEMBL351587
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Basic Information
| ChEMBL ID | CHEMBL351587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJPWHQJJVUOTQT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.91
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 5.76 | 5.76 | 1740.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 5.7 | 5.7 | 2010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 24.0 | nM | 7.62 | Binding affinity to rat V2 receptor | 10782666 |
| Vasopressin V2 receptor | IC50 | = | 220.0 | nM | 6.66 | In vitro binding affinity to human V2 receptor | 10782666 |
| Vasopressin V1a receptor | IC50 | = | 1740.0 | nM | 5.76 | In vitro binding affinity to human V1a receptor | 10782666 |
| Vasopressin V1a receptor | IC50 | = | 2010.0 | nM | 5.7 | In vitro binding affinity for rat V1a receptor | 10782666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10782666 | 10.1016/s0960-894x(00)00084-6 | Vasopressin V1a receptor | 2 |
| 10782666 | 10.1016/s0960-894x(00)00084-6 | Vasopressin V2 receptor | 2 |
| 10782666 | 10.1016/s0960-894x(00)00084-6 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine