CHEMBL4596249
SMILES | CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CCC(=O)N[C@@H](C/C=C\C[C@H](N)C(=O)N[C@@H](Cc4ccc(O)cc4)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](Cc4ccc(O)cc4)C(N)=O)C(=O)N[C@@H](Cc4ccc(O)cc4)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](Cc4ccc(O)cc4)C(N)=O)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1 |
InChIKey | VSXKMQQOIXSXQL-RVELRPDJSA-O |
Chemical properties
Hydrogen bond acceptors | 26 |
Hydrogen bond donors | 30 |
Rotatable bonds | 65 |
Molecular weight (Da) | 2296.3 |
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 | pEC50 | 8.26 | 8.26 | 8.26 | ChEMBL |
Y4 | NPY4R | Human | Neuropeptide Y | A | pIC50 | 7.16 | 7.16 | 7.16 | ChEMBL |