Compound Detail
CHEMBL510270
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CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](NC(=N)N)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Basic Information
| ChEMBL ID | CHEMBL510270 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZRHXLSSEARQJOU-JDALMQQOSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1591.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.85
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | IC50 | = | 830.0 | nM | 6.08 | Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC1R expressed in HEK293... | 19473029 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 1400.0 | nM | 5.85 | Agonist activity at human MC1R expressed in HEK293 cells assessed as stimulation... | 19473029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19473029 | 10.1021/jm801300c | Melanocortin receptor 3 | 3 |
| 19473029 | 10.1021/jm801300c | Melanocortin receptor 4 | 3 |
| 19473029 | 10.1021/jm801300c | Melanocortin receptor 5 | 3 |
| 19473029 | 10.1021/jm801300c | Melanocyte-stimulating hormone receptor | 3 |
Data from ChEMBL 36 via Core Engine