Compound Detail
CHEMBL2070247
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CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
Basic Information
| ChEMBL ID | CHEMBL2070247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBPUPEUBMHTUDK-QGCUPYRHSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1920.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.7
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Ki | = | 0.2 | nM | 9.7 | Displacement of [125I]-NAD-alpha-MSH from MC4 receptor after 2 hrs by gamma coun... | 22335602 |
| Melanocortin receptor 5 | Ki | = | 15.0 | nM | 7.82 | Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human M... | 22335602 |
| Melanocortin receptor 3 | Ki | = | 67.0 | nM | 7.17 | Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor express... | 22335602 |
| Melanocortin receptor 4 | EC50 | = | 170.0 | nM | 6.77 | Agonist activity at human recombinant MC4 receptor expressed in BHK570 cells ass... | 22335602 |
| Melanocyte-stimulating hormone receptor | Ki | = | 1200.0 | nM | 5.92 | Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor express... | 22335602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22335602 | 10.1021/jm201489a | Rattus norvegicus | 3 |
| 22335602 | 10.1021/jm201489a | Melanocortin receptor 4 | 2 |
| 22335602 | 10.1021/jm201489a | Melanocyte-stimulating hormone receptor | 1 |
| 22335602 | 10.1021/jm201489a | Melanocortin receptor 3 | 1 |
| 22335602 | 10.1021/jm201489a | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine