CHEMBL3670551
SMILES | CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1 |
InChIKey | PGQUWZXMFPXHSD-JXFKEZNVSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 432.2 |
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 |
OX2 | OX2R | Human | Orexin | A | pKi | 5.05 | 5.05 | 5.05 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |