Compound Detail
CHEMBL331098
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Basic Information
| ChEMBL ID | CHEMBL331098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJSUKZDREGZECP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
5.29
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 14.0 | nM | 7.85 | Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney | 8784453 |
| Vasopressin V1a receptor | IC50 | = | 2400.0 | nM | 5.62 | Displacement of [3H]AVP from AVP-V1a receptor binding site in rat liver | 8784453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784453 | 10.1021/jm960133o | Vasopressin V1a receptor | 1 |
| 8784453 | 10.1021/jm960133o | Vasopressin V2 receptor | 1 |
| 8784453 | 10.1021/jm960133o | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine