Compound Detail
CHEMBL424905
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
CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL424905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LONVIEZKUWPIMS-COQAPAFSSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1329.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.96
Kd 1 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasopressin V1a receptor CHEMBL2868 | Ki | 9.96 | 9.6633 | 0.1 | 3 |
| Vasopressin V1a receptor CHEMBL2868 | Kd | 9.72 | 9.72 | 0.2 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Oxytocin receptor CHEMBL3996 | Ki | 7.42 | 7.42 | 37.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasopressin V1a receptor | Ki | = | 0.11 | nM | 9.96 | Tested for inhibition constant determined from vasopressin induced inositol phos... | 8021923 |
| Vasopressin V1a receptor | Kd | = | 0.19 | nM | 9.72 | Tested for dissociation constant at V1a receptor of rat liver membrane | 8021923 |
| Vasopressin V1a receptor | Ki | = | 0.2 | nM | 9.7 | Inhibition constant for V1a receptor of rat liver membrane | 8021923 |
| Vasopressin V1a receptor | Ki | = | 0.47 | nM | 9.33 | Inhibition constant for V1a receptor of rat liver membrane | 8021923 |
| Vasopressin V2 receptor | Ki | = | 1.6 | nM | 8.8 | Tested for inhibition constant at V2 receptor of rat kidney membrane | 8021923 |
| Oxytocin receptor | Ki | = | 37.7 | nM | 7.42 | Tested for inhibition constant at OT receptor of rat mammary glands | 8021923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021923 | 10.1021/jm00038a013 | Vasopressin V1a receptor | 4 |
| 8021923 | 10.1021/jm00038a013 | Vasopressin V2 receptor | 1 |
| 8021923 | 10.1021/jm00038a013 | Oxytocin receptor | 1 |
Data from ChEMBL 36 via Core Engine