Compound Detail
CHEMBL4741743
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Basic Information
| ChEMBL ID | CHEMBL4741743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLJGVIHFYZJDOY-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.0
MW (Da)
3.83
ALogP
3
HBA
0
HBD
43.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 8.3 | 7.6667 | 5.0 | 3 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 5.0 | nM | 8.3 | Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assess... | 32736211 |
| Vasopressin V1a receptor | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assess... | 32736211 |
| Vasopressin V1a receptor | Ki | = | 80.0 | nM | 7.1 | Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assess... | 32736211 |
| Vasopressin V1a receptor | IC50 | = | 180.0 | nM | 6.75 | Antagonist activity at human V1a receptor expressed in human 1321N1 cells assess... | 32736211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32736211 | 10.1016/j.bmcl.2020.127416 | Vasopressin V1a receptor | 4 |
Data from ChEMBL 36 via Core Engine