Compound Detail
CHEMBL509582
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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]2C[C@H](NC(=N)N)CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL509582 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AODONYDDQNDROG-QLXMJECZSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1072.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.7
IC50 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 6.21 | 6.21 | 620.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 7.2 | nM | 8.14 | Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC4R expressed in HEK293... | 19473029 |
| Melanocortin receptor 5 | IC50 | = | 22.0 | nM | 7.66 | Displacement of [125I][Nle4,Dphe7]-alpha-MSH from human MC5R expressed in HEK293... | 19473029 |
| Melanocortin receptor 4 | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at human MC4R expressed in HEK293 cells assessed as stimulation... | 19473029 |
| Melanocortin receptor 3 | EC50 | = | 620.0 | nM | 6.21 | Agonist activity at human MC3R expressed in HEK293 cells assessed as stimulation... | 19473029 |
| Melanocortin receptor 5 | EC50 | = | 2400.0 | nM | 5.62 | Agonist activity at human MC5R 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