Compound Detail
CHEMBL408509
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CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
Basic Information
| ChEMBL ID | CHEMBL408509 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BNFMIJIYXXMTHD-AXXQZHOQSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1627.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
EC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 6.06 | 6.06 | 870.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.7 | 5.7 | 1990.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 870.0 | nM | 6.06 | Effective concentration for intracellular cAMP accumulation in human melanocorti... | 15771429 |
| Melanocortin receptor 5 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of [125I]NDP-MSH binding to Melanocortin 5 receptor expressed in HEK2... | 15771429 |
| Melanocortin receptor 4 | IC50 | = | 1990.0 | nM | 5.7 | Inhibition of [125I]NDP-MSH binding to Melanocortin 4 receptor expressed in HEK2... | 15771429 |
| Melanocortin receptor 3 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of [125I]NDP-MSH binding to Melanocortin 3 receptor expressed in HEK2... | 15771429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 4 | 3 |
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 5 | 3 |
| 15771429 | 10.1021/jm049579s | Melanocortin receptor 3 | 2 |
Data from ChEMBL 36 via Core Engine