DH97
SMILES | CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2c1cccc2 |
InChIKey | HDOIPCLEKCEANF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 1 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 334.2 |
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 |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.4 | 8.73 | 9.05 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.22 | 6.92 | 7.62 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |