Compound Detail
CHEMBL3350327
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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)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)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(=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](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3350327 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CELKUTCQMPOERU-QYVMTWQBSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
2326.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 8.21 | 6.535 | 6.2 | 2 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 8.16 | 6.795 | 6.9 | 2 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 6.92 | 6.47 | 120.0 | 2 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 5.65 | 5.65 | 2220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615519 | 10.1021/jm0492756 | Melanocyte-stimulating hormone receptor | 2 |
| 15615519 | 10.1021/jm0492756 | Melanocortin receptor 3 | 2 |
| 15615519 | 10.1021/jm0492756 | Melanocortin receptor 4 | 2 |
| 15615519 | 10.1021/jm0492756 | Melanocortin receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine