CVN45502
SMILES | C[C@@]1(CCC[C@@H]1NC(=O)C2=C(C=CC=N2)N3N=CC=N3)NC4=NC=C(N=C4)C(F)(F)F |
InChIKey | UNZFNWZMBMDMAR-UGSOOPFHSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pKB | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKB | 4.66 | 4.66 | 4.66 | Guide to Pharmacology |
OX1 | OX1R | Human | Orexin | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |