Compound Detail
CHEMBL2371963
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CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2CCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL2371963 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BHIQIMLFSJYURU-BEGKBBJWSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1001.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.54
EC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 1.6 | nM | 8.8 | Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulat... | 17455928 |
| Melanocortin receptor 5 | IC50 | = | 2.9 | nM | 8.54 | Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells | 17455928 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 350.0 | nM | 6.46 | Agonist activity at human melanocortin receptor 1b expressed in CHO cells assess... | 17455928 |
| Melanocortin receptor 3 | IC50 | = | 630.0 | nM | 6.2 | Displacement of [125I]NDPalphaMSH from human cloned MC3R expressed in CHO cells | 17455928 |
| Melanocortin receptor 4 | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [125I]NDPalphaMSH from human cloned MC4R expressed in CHO cells | 17455928 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 2100.0 | nM | 5.68 | Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b exp... | 17455928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17455928 | 10.1021/jm0614275 | Melanocyte-stimulating hormone receptor | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 3 | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 4 | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 5 | 2 |
| 17455928 | 10.1021/jm0614275 | Unchecked | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor (M4 and M5) | 1 |
Data from ChEMBL 36 via Core Engine