L-372662
SMILES | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] |
InChIKey | SKWSXDUHUVMPBT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 586.3 |
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 |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 9.12 | 9.12 | 9.12 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 5.01 | 5.01 | 5.01 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 7.82 | 7.83 | 7.85 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.31 | 8.35 | 8.39 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 4.55 | 4.55 | 4.55 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |