Compound Detail
CHEMBL5572502
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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)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H](N)CCCN)CN2C1=O
Basic Information
| ChEMBL ID | CHEMBL5572502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOWXKXAJVJPQOI-IOUMIPPLSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1220.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 9.61 | 9.605 | 0.2 | 2 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.53 | 8.53 | 3.0 | 2 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 8.05 | 8.05 | 8.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | IC50 | = | 0.2455 | nM | 9.61 | Partial agonist activity at C-terminal HA-tagged human MC1-R stably expressed in... | 38345933 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 0.25 | nM | 9.6 | Partial agonist activity at C-terminal HA-tagged human MC1-R stably expressed in... | 38345933 |
| Melanocortin receptor 4 | IC50 | = | 2.951 | nM | 8.53 | Antagonist activity at C-terminal HA-tagged human MC4-R stably expressed in HEK2... | 38345933 |
| Melanocortin receptor 4 | IC50 | = | 2.97 | nM | 8.53 | Antagonist activity at C-terminal HA-tagged human MC4-R stably expressed in HEK2... | 38345933 |
| Melanocortin receptor 3 | IC50 | = | 8.913 | nM | 8.05 | Antagonist activity at C-terminal HA-tagged human MC3-R stably expressed in HEK2... | 38345933 |
| Melanocortin receptor 3 | IC50 | = | 8.96 | nM | 8.05 | 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 | 3 |
| 38345933 | 10.1021/acs.jmedchem.3c01822 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine