Compound Detail
CHEMBL4442222
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CCCCCCCCCCCCCC(=O)NCCOCCOCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N(C)CC(N)=O
Basic Information
| ChEMBL ID | CHEMBL4442222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJDYYRCDADRIMG-ASJNDNEYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1336.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | EC50 | 7.98 | 7.615 | 10.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | EC50 | = | 10.47 | nM | 7.98 | Agonist activity at recombinant human Gi/Go-coupled OTR expressed in CHOK1 cells... | 31850759 |
| Oxytocin receptor | EC50 | = | 56.94 | nM | 7.25 | Agonist activity at recombinant human Gi/Go-coupled OTR expressed in CHOK1 cells... | 31850759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31850759 | 10.1021/acs.jmedchem.9b01862 | Oxytocin receptor | 4 |
Data from ChEMBL 36 via Core Engine