CHEMBL3642148
SMILES | C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1 |
InChIKey | KJTXWAGVJWMGLM-CRAIPNDOSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 417.2 |
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 | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Rat | Orexin | A | pIC50 | 5.09 | 5.09 | 5.09 | ChEMBL |
OX2 | OX2R | Rat | Orexin | A | pIC50 | 7.51 | 7.51 | 7.51 | ChEMBL |