Compound Detail
CHEMBL574450
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CN(CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC(NCc2cccs2)CC1
Basic Information
| ChEMBL ID | CHEMBL574450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQOGEFBZLDZTLL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
573.2
MW (Da)
5.22
ALogP
5
HBA
1
HBD
73.0
PSA (Ų)
0.42
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1b receptor CHEMBL1921 | Ki | 6.53 | 6.53 | 295.0 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 5.05 | 5.05 | 8866.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1b receptor | Ki | = | 295.0 | nM | 6.53 | Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor express... | 19800231 |
| Vasopressin V1a receptor | Ki | = | 8866.0 | nM | 5.05 | Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor express... | 19800231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19800231 | 10.1016/j.bmcl.2009.09.050 | Vasopressin V1b receptor | 2 |
| 19800231 | 10.1016/j.bmcl.2009.09.050 | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine