Compound Detail
CHEMBL5079921
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Basic Information
| ChEMBL ID | CHEMBL5079921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKLUOFWDDQWQPZ-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.42
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]-arginine-vasopressin from human V1A receptor expressed in h... | 34255509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34255509 | 10.1021/acs.jmedchem.1c00863 | Vasopressin V1a receptor | 2 |
| 34255509 | 10.1021/acs.jmedchem.1c00863 | Vasopressin V2 receptor | 2 |
Data from ChEMBL 36 via Core Engine