Compound Detail
CHEMBL5589988
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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](CCCCNC(=N)NCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL5589988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKGYQUQHVGIHMG-LDBQJEKASA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1247.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.21 | 8.21 | 6.2 | 2 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 7.81 | 7.81 | 15.4 | 2 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 7.68 | 7.68 | 20.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 6.166 | nM | 8.21 | Antagonist activity at C-terminal HA-tagged human MC4-R stably expressed in HEK2... | 38345933 |
| Melanocortin receptor 4 | IC50 | = | 6.18 | nM | 8.21 | Antagonist activity at C-terminal HA-tagged human MC4-R stably expressed in HEK2... | 38345933 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 15.49 | nM | 7.81 | Partial agonist activity at C-terminal HA-tagged human MC1-R stably expressed in... | 38345933 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 15.4 | nM | 7.81 | Partial agonist activity at C-terminal HA-tagged human MC1-R stably expressed in... | 38345933 |
| Melanocortin receptor 3 | IC50 | = | 20.89 | nM | 7.68 | Antagonist activity at C-terminal HA-tagged human MC3-R stably expressed in HEK2... | 38345933 |
| Melanocortin receptor 3 | IC50 | = | 21.0 | nM | 7.68 | Antagonist activity at C-terminal HA-tagged human MC3-R stably expressed in HEK2... | 38345933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocortin receptor 4 | 3 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocortin receptor 3 | 3 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocyte-stimulating hormone receptor | 3 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Unchecked | 2 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine