CHEMBL4076934
SMILES | CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O |
InChIKey | MTNUEGLJXSGOLS-AGGMCKPSSA-N |
Chemical properties
Hydrogen bond acceptors | 24 |
Hydrogen bond donors | 29 |
Rotatable bonds | 56 |
Molecular weight (Da) | 1833.1 |
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 | NPY2R | Human | Neuropeptide Y | A | pEC50 | 8.42 | 8.42 | 8.42 | ChEMBL |
Y2 | NPY2R | Human | Neuropeptide Y | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |