CHEMBL3354584
SMILES | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |
InChIKey | DSODNURHHWNVSF-UNGLXHEOSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 10 |
Rotatable bonds | 21 |
Molecular weight (Da) | 973.5 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 10.05 | 10.05 | 10.05 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 6.13 | 6.13 | 6.13 | ChEMBL |