CHEMBL3634008
SMILES | Cc1n[nH]c(C)c1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1 |
InChIKey | KNSSBXCHRPNPDS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 472.2 |
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 |
OX1 | OX1R | Human | Orexin | A | pKd | 8.22 | 8.22 | 8.22 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 7.8 | 7.8 | 7.8 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |