CHEMBL3669568
SMILES | Cc1cc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)nc2ccccc12 |
InChIKey | DDYKRFYMWLKLMC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 438.2 |
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 | pKd | 7.05 | 7.05 | 7.05 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 7.92 | 7.92 | 7.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |