Compound Detail
CHEMBL4094707
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Basic Information
| ChEMBL ID | CHEMBL4094707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAILZIXLSBGBEW-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
5.03
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 8.69 | 8.69 | 2.1 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 2.06 | nM | 8.69 | Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 fr... | 28475329 |
| Vasopressin V2 receptor | Ki | = | 46.0 | nM | 7.34 | Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expre... | 28475329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28475329 | 10.1021/acs.jmedchem.7b00422 | Vasopressin V2 receptor | 1 |
| 28475329 | 10.1021/acs.jmedchem.7b00422 | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine