CHEMBL2435408
SMILES | O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2 |
InChIKey | DCKAOKXRHCMSPN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 425.2 |
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 | 6.26 | 6.29 | 6.32 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKd | 6.2 | 6.2 | 6.2 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 7.11 | 7.16 | 7.2 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKd | 6.89 | 6.89 | 6.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |