BIBP3226
SMILES | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O |
InChIKey | KUWBXRGRMQZCSS-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 5 |
Rotatable bonds | 11 |
Molecular weight (Da) | 473.2 |
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 |
OX2 | OX2R | Rat | Orexin | A | pKi | 10.11 | 10.11 | 10.11 | ChEMBL |
OX1 | OX1R | Rat | Orexin | A | pKi | 9.93 | 9.93 | 9.93 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pKi | 8.07 | 9.03 | 9.4 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 9.12 | 9.41 | 9.52 | ChEMBL |
OX1 | OX1R | Human | Orexin | A | pKi | 9.1 | 9.22 | 9.6 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKi | 8.9 | 9.35 | 9.8 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pKB | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
OX2 | OX2R | Human | Orexin | A | pKB | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
OX1 | OX1R | Mouse | Orexin | A | pKB | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
OX1 | OX1R | Rat | Orexin | A | pKB | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
OX2 | OX2R | Rat | Orexin | A | pKB | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
OX2 | OX2R | Mouse | Orexin | A | pKB | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |