CHEMBL217692
SMILES | CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CN[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C |
InChIKey | YCQSOBVMPTYRFR-MLVIUDRXSA-N |
Chemical properties
Hydrogen bond acceptors | 26 |
Hydrogen bond donors | 29 |
Rotatable bonds | 63 |
Molecular weight (Da) | 1916.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
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 |
Y2 | Q9ERC0 | Rat | Neuropeptide Y | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
Y2 | NPY2R | Human | Neuropeptide Y | A | pIC50 | 6.98 | 6.98 | 6.98 | ChEMBL |
Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |