VU0090157
SMILES | O=C1NC(C(=C(N1C)C)C(=O)OC1CCCC1)c1cc2OCOc2cc1[N+](=O)[O-] |
InChIKey | GUFKDOZSNUQIAS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 403.1 |
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 |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.7 | 9.15 | 9.72 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKd | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.1 | 8.7 | 9.3 | Guide to Pharmacology |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 6.3 | 6.8 | 7.3 | Guide to Pharmacology |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.6 | 6.75 | 6.9 | Guide to Pharmacology |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.5 | 6.75 | 7.0 | Guide to Pharmacology |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 7.89 | 7.89 | 7.89 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |