Compound Detail
CHEMBL4550879
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CCCCCCCCCCCCCCCC(=O)N[C@H]1CSSC[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)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(OC(=O)OCCCCCCCCCCCCCC)cc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4550879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJJSDXGHIZLBMY-LEKFDESKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1486.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | EC50 | 7.68 | 7.68 | 20.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | EC50 | = | 20.7 | nM | 7.68 | Agonist activity at human OTR receptor expressed in HEK293 cells assessed as int... | 31229420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31229420 | 10.1016/j.bmc.2019.06.018 | Oxytocin receptor | 2 |
| 31229420 | 10.1016/j.bmc.2019.06.018 | Mus musculus | 2 |
| 31229420 | 10.1016/j.bmc.2019.06.018 | Vasopressin V1a receptor | 1 |
| 31229420 | 10.1016/j.bmc.2019.06.018 | Vasopressin V1b receptor | 1 |
Data from ChEMBL 36 via Core Engine