Compound Detail
CHEMBL438118
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CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL438118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORPOIIFPKJKKPO-AGLBDDBTSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1040.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.6
IC50 3 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 8.28 | 8.28 | 5.3 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 2.5 | nM | 8.6 | Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulat... | 17455928 |
| Melanocortin receptor 5 | IC50 | = | 4.1 | nM | 8.39 | Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells | 17455928 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 5.3 | nM | 8.28 | Agonist activity at human melanocortin receptor 1b expressed in CHO cells assess... | 17455928 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 45.0 | nM | 7.35 | Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b exp... | 17455928 |
| Melanocortin receptor 4 | IC50 | = | 1200.0 | nM | 5.92 | Displacement of [125I]NDPalphaMSH from human cloned MC4R expressed in CHO cells | 17455928 |
| Melanocortin receptor 3 | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at human MC3R expressed in CHO cells assessed as cAMP accumulat... | 17455928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17455928 | 10.1021/jm0614275 | Melanocyte-stimulating hormone receptor | 3 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 3 | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 4 | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine