Compound Detail
CHEMBL310581
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Basic Information
| ChEMBL ID | CHEMBL310581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYYYGMCGDBPAIF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.9
MW (Da)
5.61
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 16.0 | nM | 7.8 | Displacement of [3H]AVP from vasopressin V2 receptor of rat kidney medulla. | 9651149 |
| Vasopressin V1a receptor | IC50 | = | 33.0 | nM | 7.48 | Displacement of (Phe-3,4,5-H) Vasopressin from V1a receptor from rat liver membr... | 9651149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651149 | 10.1021/jm980179c | Vasopressin V1a receptor | 1 |
| 9651149 | 10.1021/jm980179c | Vasopressin V2 receptor | 1 |
| 9651149 | 10.1021/jm980179c | Vasopressin receptor | 1 |
Data from ChEMBL 36 via Core Engine