RP73870
SMILES | COc1cccc(c1)N(C(=O)CNC(=O)Nc1cccc(c1)CCS(=O)(=O)O)CC(=O)N(c1ccccc1)C |
InChIKey | NGZMTMPEGDUWJQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 554.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 5.89 | 5.97 | 6.06 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
OX1 | OX1R | Rat | Orexin | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
OX2 | OX2R | Rat | Orexin | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pKB | 6.3 | 6.3 | 6.3 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKB | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
OX1 | OX1R | Rat | Orexin | A | pKB | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
OX2 | OX2R | Rat | Orexin | A | pKB | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |