CHEMBL4639571
SMILES | COc1ccc2c3c1O[C@@H]1C3[C@]3(CC[C@H]1N(C)C(=O)/C=C/c1ccoc1)OC(=O)N(CC1CC1)[C@@H]3C2 |
InChIKey | HRPUWSBSNYKXBY-HMIABTHZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 490.2 |
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 | 6.27 | 6.27 | 6.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |