Compound Detail
CHEMBL3799094
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N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3799094 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BBSFNUWKFPLIJR-JDRZNSOUSA-N |
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1568.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.96
IC50 3 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.96 | 7.39 | 1.1 | 2 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 8.31 | 8.31 | 4.9 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 7.84 | 7.84 | 14.5 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 7.79 | 7.79 | 16.4 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 7.57 | 7.57 | 27.2 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | IC50 | 6.59 | 6.59 | 258.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | IC50 | 5.07 | 5.07 | 8430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26959173 | 10.1021/acs.jmedchem.5b01894 | Melanocortin receptor 3 | 4 |
| 26959173 | 10.1021/acs.jmedchem.5b01894 | Melanocyte-stimulating hormone receptor | 4 |
| 26959173 | 10.1021/acs.jmedchem.5b01894 | Melanocortin receptor 4 | 4 |
| 26959173 | 10.1021/acs.jmedchem.5b01894 | Melanocortin receptor 5 | 2 |
| 29669202 | 10.1021/acs.jmedchem.8b00238 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine