Compound Detail
CHEMBL4758331
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Basic Information
| ChEMBL ID | CHEMBL4758331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDPVXCXVKVYSJN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.0
MW (Da)
5.01
ALogP
3
HBA
0
HBD
47.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.46
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]AVP from human V1a receptor expressed in 1132N1 cells assess... | 32736211 |
| Vasopressin V1a receptor | IC50 | = | 35.0 | nM | 7.46 | 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 | 2 |
Data from ChEMBL 36 via Core Engine