CHEMBL3354581
SMILES | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)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 | JDOLKKGNJDRGTJ-GESINAPRSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 11 |
Rotatable bonds | 21 |
Molecular weight (Da) | 989.5 |
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 |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pEC50 | 6.09 | 6.09 | 6.09 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 9.92 | 9.92 | 9.92 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 7.14 | 7.14 | 7.14 | ChEMBL |