Compound Detail
CHEMBL1688109
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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)N2C[C@@H](Cc3ccccc3)NC(=O)[C@H](CSCC2=O)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 | CHEMBL1688109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDYAQMAQKPCOKX-KAILQHMVSA-N |
3
Targets
3
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 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 5.8 | 5.8 | 1595.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 5.56 | 5.56 | 2730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 540.0 | nM | 6.27 | Agonist activity at mouse melanocortin 1 receptor expressed in HEK293 cells afte... | 21306168 |
| Melanocortin receptor 5 | EC50 | = | 1595.0 | nM | 5.8 | Agonist activity at mouse melanocortin 5 receptor expressed in HEK293 cells afte... | 21306168 |
| Melanocortin receptor 4 | EC50 | = | 2730.0 | nM | 5.56 | Agonist activity at mouse melanocortin 4 receptor expressed in HEK293 cells afte... | 21306168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21306168 | 10.1021/jm101425m | Melanocortin receptor 3 | 2 |
| 21306168 | 10.1021/jm101425m | Melanocyte-stimulating hormone receptor | 1 |
| 21306168 | 10.1021/jm101425m | Melanocortin receptor 4 | 1 |
| 21306168 | 10.1021/jm101425m | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine