CHEMBL438402
SMILES | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=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)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C |
InChIKey | VGBVAARMQYYITG-DESRROFGSA-N |
Chemical properties
Hydrogen bond acceptors | 22 |
Hydrogen bond donors | 22 |
Rotatable bonds | 49 |
Molecular weight (Da) | 1622.8 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 9.15 | 9.15 | 9.15 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 9.25 | 9.25 | 9.25 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 8.8 | 8.8 | 8.8 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 9.19 | 9.19 | 9.19 | ChEMBL |