Compound Detail
CHEMBL118271
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Basic Information
| ChEMBL ID | CHEMBL118271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDPVGLNUJIYJDL-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.72
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL1889 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Vasopressin V2 receptor CHEMBL1790 | Ki | 8.12 | 8.12 | 7.6 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 1.58 | nM | 8.8 | Displacement of [125I] phenylacetyl-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-Tyr-NH2 fr... | 28475329 |
| Vasopressin V2 receptor | Ki | = | 7.56 | nM | 8.12 | Displacement of [3H] (Arg8)-vasopressin from human vasopressin V2 receptor expre... | 28475329 |
| Vasopressin V2 receptor | IC50 | = | 29.0 | nM | 7.54 | Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney | 8784453 |
| Vasopressin V1a receptor | IC50 | = | 140.0 | nM | 6.85 | Displacement of [3H]AVP from AVP-V1a receptor binding site in rat liver | 8784453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784453 | 10.1021/jm960133o | Vasopressin V1a receptor | 1 |
| 8784453 | 10.1021/jm960133o | Vasopressin V2 receptor | 1 |
| 8784453 | 10.1021/jm960133o | Rattus norvegicus | 1 |
| 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