Compound Detail
CHEMBL415333
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(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL415333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKJKHYOUTNOITO-KEJHGIAHSA-N |
3
Targets
7
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1590.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Ki 3 meas. best 8.51
EC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Melanocortin receptor 4 CHEMBL259 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 7.38 | 7.38 | 42.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 6.19 | 6.19 | 649.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 1.5 | nM | 8.82 | Binding affinity against human Melanocortin-4 receptor | 12431055 |
| Melanocortin receptor 4 | Ki | = | 3.1 | nM | 8.51 | Inhibitory activity against human melanocortin receptor human Melanocortin 4 rec... | 12904077 |
| Melanocortin receptor 5 | IC50 | = | 16.0 | nM | 7.8 | Binding affinity against human Melanocortin 5 receptor | 12431055 |
| Melanocortin receptor 3 | IC50 | = | 25.0 | nM | 7.6 | Binding affinity for human Melanocortin-3 receptor | 12431055 |
| Melanocortin receptor 5 | EC50 | = | 42.0 | nM | 7.38 | Binding affinity against human Melanocortin 5 receptor | 12431055 |
| Melanocortin receptor 3 | Ki | = | 54.0 | nM | 7.27 | Inhibitory activity against human Melanocortin 3 receptor was determined | 12904077 |
| Melanocortin receptor 5 | Ki | = | 649.0 | nM | 6.19 | Inhibitory activity against human melanocortin receptor human Melanocortin 5 rec... | 12904077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431055 | 10.1021/jm0202526 | Melanocortin receptor 3 | 2 |
| 12431055 | 10.1021/jm0202526 | Melanocortin receptor 4 | 2 |
| 12431055 | 10.1021/jm0202526 | Melanocortin receptor 5 | 2 |
| 12904077 | 10.1021/jm030111j | Melanocortin receptor 3 | 1 |
| 12904077 | 10.1021/jm030111j | Melanocortin receptor 4 | 1 |
| 12904077 | 10.1021/jm030111j | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine