CHEMBL1187587
| SMILES | N/C(=N/C(=O)CCCn1cc(COCCOCCOCCOCCOCc2cn(CCCC(=O)/N=C(\N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |
| InChIKey | VMWWBCYPYFZHDB-MSXBASLCSA-N |
Chemical properties
| Hydrogen bond acceptors | 19 |
| Hydrogen bond donors | 10 |
| Rotatable bonds | 46 |
| Molecular weight (Da) | 1438.7 |
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 |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |