mozavaptan
SMILES | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C |
InChIKey | WRNXUQJJCIZICJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 427.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pIC50 | 6.24 | 6.24 | 6.24 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pIC50 | 8.05 | 8.05 | 8.05 | ChEMBL |