TPI 1361-17
SMILES | Fc1cccc(c1)CCN1[C@@H](CCCN=C(N)N)CN(C1=S)[C@H](CNCc1ccccc1)C |
InChIKey | DSJVYEAOYVHUJW-CVDCTZTESA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 470.3 |
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 |
V1B | V1BR | Rat | Vasopressin and oxytocin | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 6.3 | 6.3 | 6.3 | Guide to Pharmacology |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |