CHEMBL187620
| SMILES | COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(=N/CCNC2CCN(c3ccccc3OC)CC2)NC#N)c1 |
| InChIKey | XOTKLIIPCWNWBL-CCFHIKDMSA-N |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 615.3 |
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 |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 8.4 | 8.4 | 8.4 | ChEMBL |