CHEMBL3669495
SMILES | COCc1cccc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1 |
InChIKey | GDPWRMYMKQBVEF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 430.2 |
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 | 5.53 | 5.53 | 5.53 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |