Compound Detail
CHEMBL2372253
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2C(C(C)(C)C)CC[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 | CHEMBL2372253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRGCXYHMINAFBV-XPVHEZJJSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1048.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
Ki 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 7.3 | 7.21 | 50.0 | 2 |
| Oxytocin receptor CHEMBL3996 | Ki | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 50.0 | nM | 7.3 | Effective concentration in rat in the absence of Magnesium | 10780900 |
| Rattus norvegicus | EC50 | = | 75.0 | nM | 7.12 | Effective concentration in rat in the presence of 1 mM of Magnesium | 10780900 |
| Oxytocin receptor | Ki | = | 240.0 | nM | 6.62 | Binding affinity against oxytocin receptor | 10780900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780900 | 10.1021/jm990090m | Rattus norvegicus | 5 |
| 10780900 | 10.1021/jm990090m | Oxytocin receptor | 1 |
Data from ChEMBL 36 via Core Engine