CHEMBL3669476
SMILES | O=C1N(Cc2c[nH]c3ncccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2 |
InChIKey | PLYROBNEDAWALN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 426.2 |
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 | 5.99 | 5.99 | 5.99 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 6.02 | 6.02 | 6.02 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |