Compound Detail
CHEMBL1688104
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C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)N2C[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CSCC2=O)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 | CHEMBL1688104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJABAIOSDNQOHO-FBOVWTABSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1635.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.52 | 6.52 | 305.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 190.0 | nM | 6.72 | Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells afte... | 21306168 |
| Melanocortin receptor 5 | EC50 | = | 305.0 | nM | 6.52 | Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells afte... | 21306168 |
| Melanocortin receptor 4 | EC50 | = | 350.0 | nM | 6.46 | Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells afte... | 21306168 |
| Melanocortin receptor 3 | EC50 | = | 3900.0 | nM | 5.41 | Agonist activity at mouse melanocortin 3 receptor expressed in HEK293 cells afte... | 21306168 |
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 |
Data from ChEMBL 36 via Core Engine