Compound Detail
CHEMBL4209421
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Basic Information
| ChEMBL ID | CHEMBL4209421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUHHRVOIMGMMSL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.8
MW (Da)
4.32
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | Ki | 6.29 | 6.29 | 507.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 6.25 | 6.25 | 556.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 507.0 | nM | 6.29 | Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes ... | 30199637 |
| Vasopressin V1a receptor | Ki | = | 556.0 | nM | 6.25 | Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes... | 30199637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Vasopressin V1a receptor | 3 |
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Vasopressin V2 receptor | 3 |
| 30199637 | 10.1021/acs.jmedchem.8b00697 | Oxytocin receptor | 3 |
Data from ChEMBL 36 via Core Engine