Compound Detail
CHEMBL353396
DEAMINOOXYTOCIN TRISULFIDE Enter ChEMBL ID:
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL353396 |
| Name | DEAMINOOXYTOCIN TRISULFIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQUDGMCUJBZYJS-FAJKJHJLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1024.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL3996 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Ki | = | 3.0 | nM | 8.52 | Binding affinity against Oxytocin receptor was determined in rat uterine membran... | 9083475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083475 | 10.1021/jm9607156 | Rattus norvegicus | 3 |
| 9083475 | 10.1021/jm9607156 | Oxytocin receptor | 1 |
Data from ChEMBL 36 via Core Engine