L-366,948
SMILES | CCC(C)C(C(=O)C1(CCCN1C(=O)C(CC2=NC(N=C2)(C(=O)N3CCCCC3)C(=O)N4CCCCC4)N)C=O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N |
InChIKey | OCVKQRQVXSMCCJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 3 |
Rotatable bonds | 14 |
Molecular weight (Da) | 768.4 |
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 | 8.29 | 8.29 | 8.29 | PDSP Ki database |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 9.1 | 9.12 | 9.15 | PDSP Ki database |
OT | OXYR | Rhesus macaque | Vasopressin and oxytocin | A | pKi | 8.19 | 8.19 | 8.19 | PDSP Ki database |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 6.09 | 6.29 | 6.49 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |