Compound Detail
CHEMBL3578001
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C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3578001 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CADGUJRMKNUYDE-XQFOLYGRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1702.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
Kd 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | Kd | 6.8 | 6.8 | 158.5 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Kd | = | 158.49 | nM | 6.8 | Displacement of MTII from mouse MC4R expressed in HEK293 cells | 25898270 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 5100.0 | nM | 5.29 | Agonist activity at mouse MC1R expressed in HEK293 cells by cAMP functional bioa... | 25898270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25898270 | 10.1021/acs.jmedchem.5b00184 | Melanocyte-stimulating hormone receptor | 1 |
| 25898270 | 10.1021/acs.jmedchem.5b00184 | Melanocortin receptor 3 | 1 |
| 25898270 | 10.1021/acs.jmedchem.5b00184 | Melanocortin receptor 4 | 1 |
| 25898270 | 10.1021/acs.jmedchem.5b00184 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine