Compound Detail
CHEMBL1688111
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C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1688111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAUMKWJPJZDAEN-FHILOCCJSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1635.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 8.62 | 7.46 | 2.4 | 2 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 7.34 | 6.685 | 46.0 | 2 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.72 | 6.415 | 190.0 | 2 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 6.49 | 5.91 | 324.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21306168 | 10.1021/jm101425m | Melanocyte-stimulating hormone receptor | 1 |
| 21306168 | 10.1021/jm101425m | Melanocortin receptor 3 | 1 |
| 21306168 | 10.1021/jm101425m | Melanocortin receptor 4 | 1 |
| 21306168 | 10.1021/jm101425m | Melanocortin receptor 5 | 1 |
| 23432160 | 10.1021/jm301253y | Melanocortin receptor 5 | 1 |
| 23432160 | 10.1021/jm301253y | Melanocortin receptor 4 | 1 |
| 23432160 | 10.1021/jm301253y | Melanocortin receptor 3 | 1 |
| 23432160 | 10.1021/jm301253y | Melanocyte-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine