CHEMBL299879
SMILES | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |
InChIKey | ISSSVYKMIIAPTH-YGQOYYDZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 471.2 |
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 | Rat | Neuropeptide Y | A | pKi | 4.66 | 4.66 | 4.66 | ChEMBL |
Y5 | NPY5R | Human | Neuropeptide Y | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 4.79 | 4.79 | 4.79 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
Y5 | NPY5R | Rat | Neuropeptide Y | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.0 | 5.0 | 5.0 | ChEMBL |