Compound Detail
CHEMBL2371967
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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]2CCCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O
Basic Information
| ChEMBL ID | CHEMBL2371967 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DFDCZNQATCGDRV-IURAFAQNSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1077.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.57
EC50 2 meas. best 9.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 9.35 | 9.35 | 0.5 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 0.45 | nM | 9.35 | Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulat... | 17455928 |
| Melanocortin receptor 5 | IC50 | = | 2.7 | nM | 8.57 | Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells | 17455928 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at human melanocortin receptor 1b expressed in CHO cells assess... | 17455928 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 710.0 | nM | 6.15 | Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b exp... | 17455928 |
| Melanocortin receptor 4 | IC50 | = | 720.0 | nM | 6.14 | Displacement of [125I]NDPalphaMSH from human cloned MC4R expressed in CHO cells | 17455928 |
| Melanocortin receptor 3 | IC50 | = | 3900.0 | nM | 5.41 | Displacement of [125I]NDPalphaMSH from human cloned MC3R expressed in CHO cells | 17455928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 3 | 3 |
| 17455928 | 10.1021/jm0614275 | Melanocyte-stimulating hormone receptor | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 5 | 2 |
| 17455928 | 10.1021/jm0614275 | Unchecked | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 4 | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor (M4 and M5) | 1 |
Data from ChEMBL 36 via Core Engine