Compound Detail
CHEMBL3815099
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3815099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDGAOZSSNPSHEV-DTRKZRJBSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1020.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.23
Ki 1 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxytocin receptor CHEMBL2049 | EC50 | 9.23 | 9.23 | 0.6 | 1 |
| Oxytocin receptor CHEMBL2049 | Ki | 8.43 | 8.43 | 3.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxytocin receptor | EC50 | = | 0.59 | nM | 9.23 | Agonist activity at human oxytocin receptor expressed in CHO cells assessed as i... | 27297999 |
| Oxytocin receptor | Ki | = | 3.7 | nM | 8.43 | Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expresse... | 27297999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27297999 | 10.1016/j.bmc.2016.05.062 | Oxytocin receptor | 3 |
Data from ChEMBL 36 via Core Engine