Compound Detail
CHEMBL72945
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Basic Information
| ChEMBL ID | CHEMBL72945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AROSNMSHTYIBMN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
6.07
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 29.0 | nM | 7.54 | Inhibition of [3H]AVP binding to Dawley rat kidney medullary vasopressin V2 rece... | 12798333 |
| Vasopressin V1a receptor | IC50 | = | 56.0 | nM | 7.25 | Inhibition of [3H]AVP binding to Dawley rat hepatic vasopressin V1a receptor. | 12798333 |
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 |
Data from ChEMBL 36 via Core Engine