Compound Detail
CHEMBL394411
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CCOc1ccc(C[C@H]2NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=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)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL394411 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DBEFVIUHZSNDLS-DWGNBVNMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1035.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL3996 | Kd | 7.36 | 7.36 | 43.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | Kd | = | 43.65 | nM | 7.36 | Antagonist activity in rat uterus by uterotonic assay | 17316912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17316912 | 10.1016/j.ejmech.2006.12.016 | Oxytocin receptor | 2 |
Data from ChEMBL 36 via Core Engine