Compound Detail
CHEMBL125878
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Basic Information
| ChEMBL ID | CHEMBL125878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INGXCNVWWKKWOO-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
5.38
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | IC50 | = | 390.0 | nM | 6.41 | Binding affinity against Vasopressin V2 receptor was determined in Brattleboro r... | 12166952 |
| Vasopressin V2 receptor | IC50 | = | 980.0 | nM | 6.01 | Binding affinity against human Vasopressin V2 receptor expressed in HeLa cells w... | 12166952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166952 | 10.1021/jm020133q | Vasopressin V2 receptor | 3 |
Data from ChEMBL 36 via Core Engine