CHEMBL4633992
SMILES | Cc1ccc(-n2nccn2)c(C(=O)N2CCS[C@H]2Cn2ccc(-c3ccc(F)cn3)n2)c1 |
InChIKey | YGFUOBBTHVRKKB-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 449.1 |
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 |
OX1 | OX1R | Human | Orexin | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |