Compound Detail
CHEMBL119793
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL119793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAPHLPQSWLATBB-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
5.23
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.57
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V2 receptor CHEMBL1790 | Ki | 8.57 | 8.355 | 2.7 | 2 |
| Unchecked CHEMBL612545 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| Vasopressin V1a receptor CHEMBL1889 | Ki | 8.09 | 8.09 | 8.1 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Vasopressin V1a receptor CHEMBL2868 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V2 receptor | Ki | = | 2.68 | nM | 8.57 | Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cel... | 22984902 |
| Unchecked | Ki | = | 7.2 | nM | 8.14 | Binding affinity to vasopressin V2 receptor in rabbit kidney membranes | 22984902 |
| Vasopressin V2 receptor | Ki | = | 7.2 | nM | 8.14 | Binding affinity to vasopressin V2 receptor | 22984902 |
| Vasopressin V1a receptor | Ki | = | 8.1 | nM | 8.09 | Binding affinity to vasopressin V1a receptor | 22984902 |
| Vasopressin V2 receptor | IC50 | = | 18.0 | nM | 7.75 | Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney | 8784453 |
| Oxytocin receptor | Ki | = | 30.0 | nM | 7.52 | Binding affinity to oxytocin receptor | 22984902 |
| Vasopressin V1a receptor | IC50 | = | 56.0 | nM | 7.25 | Displacement of [3H]AVP from AVP-V1a receptor binding site in rat liver | 8784453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22984902 | 10.1021/jm3006146 | Vasopressin V2 receptor | 4 |
| 8784453 | 10.1021/jm960133o | Vasopressin V1a receptor | 1 |
| 8784453 | 10.1021/jm960133o | Vasopressin V2 receptor | 1 |
| 22984902 | 10.1021/jm3006146 | Unchecked | 1 |
| 22984902 | 10.1021/jm3006146 | No relevant target | 1 |
| 22984902 | 10.1021/jm3006146 | Oxytocin receptor | 1 |
| 22984902 | 10.1021/jm3006146 | Vasopressin V1a receptor | 1 |
Data from ChEMBL 36 via Core Engine