Compound Detail
CHEMBL2372926
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
CCOc1ccc(C[C@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N(C)C(=O)[C@@H]3CCCCN3C(=O)[C@H]3CCCCN3C(=O)[C@H]([C@@H](C)CC)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL2372926 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RHGYTOYYWKFYJE-DCEHPZEXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
785.0
MW (Da)
3.48
ALogP
7
HBA
2
HBD
148.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL3996 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Vasopressin V2 receptor CHEMBL3766 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Vasopressin V1 receptor CHEMBL2095221 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 49.0 | nM | 7.31 | Inhibition of [3H]- oxytocin binding to rat uterine Oxytocin receptor | 2163451 |
| Vasopressin V2 receptor | Ki | = | 250.0 | nM | 6.6 | Inhibition of [3H]arginine vasopressin binding to rat kidney medulla Vasopressin... | 2163451 |
| Vasopressin V1 receptor | Ki | = | 20000.0 | nM | 4.7 | Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 recep... | 2163451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2163451 | 10.1021/jm00169a001 | Oxytocin receptor | 1 |
| 2163451 | 10.1021/jm00169a001 | Vasopressin V1 receptor | 1 |
| 2163451 | 10.1021/jm00169a001 | Vasopressin V2 receptor | 1 |
Data from ChEMBL 36 via Core Engine