Compound Detail
CHEMBL3349030
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CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL3349030 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GZWUQPQBOGLSIM-DNTYTYIFSA-N |
3
Targets
34
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1570.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 17 meas. best 8.7
IC50 17 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 3 CHEMBL4644 | EC50 | 8.7 | 7.3371 | 2.0 | 7 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.44 | 6.988 | 3.6 | 5 |
| Melanocortin receptor 3 CHEMBL4644 | IC50 | 8.06 | 6.46 | 8.8 | 6 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.01 | 6.442 | 9.7 | 5 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 7.31 | 6.166 | 49.0 | 5 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 7.11 | 5.9 | 77.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150170 | 10.1021/jm000211e | Melanocortin receptor 3 | 21 |
| 11150170 | 10.1021/jm000211e | Melanocortin receptor 4 | 17 |
| 11150170 | 10.1021/jm000211e | Melanocortin receptor 5 | 17 |
Data from ChEMBL 36 via Core Engine