CHEMBL1610025
SMILES | CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-] |
InChIKey | POQKMAYSCQZLGQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 445.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 |
AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.09 | 5.09 | 5.09 | ChEMBL |