conivaptan
SMILES | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 |
InChIKey | IKENVDNFQMCRTR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 498.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.2 | 8.3 | 8.4 | Guide to Pharmacology |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 9.44 | 9.44 | 9.44 | Guide to Pharmacology |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
V1B | V1BR | Rat | Vasopressin and oxytocin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 9.32 | 9.47 | 9.62 | PDSP Ki database |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 8.52 | 8.97 | 9.42 | PDSP Ki database |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 7.35 | 7.35 | 7.35 | PDSP Ki database |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 9.44 | 9.44 | 9.44 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 9.37 | 9.37 | 9.37 | ChEMBL |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 9.32 | 9.32 | 9.32 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |