Compound Detail
CHEMBL349506
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Basic Information
| ChEMBL ID | CHEMBL349506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXRAFEGBKSUIRZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.4
MW (Da)
5.91
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 38.0 | nM | 7.42 | Binding affinity to rat V2 receptor | 10782666 |
| Vasopressin V2 receptor | IC50 | = | 150.0 | nM | 6.82 | In vitro binding affinity to human V2 receptor | 10782666 |
| Vasopressin V1a receptor | IC50 | = | 2100.0 | nM | 5.68 | In vitro binding affinity for rat V1a receptor | 10782666 |
| Vasopressin V1a receptor | IC50 | = | 4100.0 | nM | 5.39 | In vitro binding affinity to human 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