Compound Detail
CHEMBL4206233
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Basic Information
| ChEMBL ID | CHEMBL4206233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVTTVOUSHGWOND-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.16
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 7.08 | 7.08 | 84.0 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 6.55 | 6.55 | 282.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes... | 30199637 |
| Oxytocin receptor | Ki | = | 84.0 | nM | 7.08 | Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes... | 30199637 |
| Vasopressin V2 receptor | Ki | = | 282.0 | nM | 6.55 | Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes ... | 30199637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Vasopressin V2 receptor | 4 |
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Vasopressin V1a receptor | 3 |
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Oxytocin receptor | 3 |
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine