Compound Detail
CHEMBL2371971
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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](c2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2371971 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PIBQDSQILSXEKV-BHFWETOJSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1051.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
EC50 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 9.54 | 9.54 | 0.3 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 0.29 | nM | 9.54 | Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulat... | 17455928 |
| Melanocortin receptor 5 | IC50 | = | 2.1 | nM | 8.68 | Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells | 17455928 |
| Melanocortin receptor 4 | IC50 | = | 990.0 | nM | 6.0 | Displacement of [125I]NDPalphaMSH from human cloned MC4R expressed in CHO cells | 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 |
Data from ChEMBL 36 via Core Engine