CHEMBL1466117
SMILES | Cc1cccc(C2(c3cccc(C)c3)CC2C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1 |
InChIKey | JWSPOYWIADRWOW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 402.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pIC50 | 5.26 | 5.26 | 5.26 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |