CHEMBL4445077
SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C/C=C\C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |
InChIKey | YSFKNPRFMZPTER-WFGWIIQFSA-N |
Chemical properties
Hydrogen bond acceptors | 22 |
Hydrogen bond donors | 30 |
Rotatable bonds | 54 |
Molecular weight (Da) | 1703.0 |
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 |
Y4 | NPY4R | Human | Neuropeptide Y | A | pIC50 | 6.88 | 6.88 | 6.88 | ChEMBL |
Y4 | NPY4R | Human | Neuropeptide Y | A | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 6.31 | 6.31 | 6.31 | ChEMBL |