MRS1706
SMILES | CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C |
InChIKey | ZKUCFFYOQOJLGT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 503.2 |
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 | Human | Vasopressin and oxytocin | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 4.3 | 4.3 | 4.3 | Guide to Pharmacology |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.4 | 8.85 | 9.3 | Guide to Pharmacology |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 9.3 | 9.3 | 9.3 | Guide to Pharmacology |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.53 | 6.03 | 6.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |