Compound Detail
CHEMBL2112008
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CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL2112008 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GZWUQPQBOGLSIM-JPYSNZGSSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1570.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.01
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 7.01 | 7.01 | 98.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.24 | 6.24 | 570.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 3 | EC50 | = | 98.0 | nM | 7.01 | Effective concentration required for intracellular cAMP accumulation against Mel... | 11150170 |
| Melanocortin receptor 4 | EC50 | = | 570.0 | nM | 6.24 | Effective concentration required for intracellular cAMP accumulation by Melanoco... | 11150170 |
| Melanocortin receptor 3 | IC50 | = | 1900.0 | nM | 5.72 | Binding affinity for Human Melanocortin 3 receptor expressed in L-cells | 11150170 |
| Melanocortin receptor 5 | EC50 | = | 5000.0 | nM | 5.3 | Effective concentration required for intracellular cAMP accumulation by Melanoco... | 11150170 |
| Melanocortin receptor 5 | IC50 | = | 7100.0 | nM | 5.15 | Binding affinity for Human Melanocortin 5 receptor expressed in L-cells | 11150170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150170 | 10.1021/jm000211e | Melanocortin receptor 3 | 3 |
| 11150170 | 10.1021/jm000211e | Melanocortin receptor 4 | 3 |
| 11150170 | 10.1021/jm000211e | Melanocortin receptor 5 | 3 |
Data from ChEMBL 36 via Core Engine