L-366,811
SMILES | CCC(C)C(C(=O)N(C(CC1=CNC2=CC=CC=C21)C=O)C(=O)C3CCCN3C(=O)C(CC4=CC=CCC4(C(=O)N5CCNCC5)C(=O)N6CC=CC=C6)NC)N |
InChIKey | PQTORSHXODXZHK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 14 |
Molecular weight (Da) | 780.4 |
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 |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.35 | 8.35 | 8.35 | PDSP Ki database |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 8.38 | 8.43 | 8.47 | PDSP Ki database |
OT | OXYR | Rhesus macaque | Vasopressin and oxytocin | A | pKi | 8.33 | 8.33 | 8.33 | PDSP Ki database |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 6.62 | 6.62 | 6.62 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |