CHEMBL3353938
SMILES | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=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 | UAXALIGVPPAHAT-GESINAPRSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 11 |
Rotatable bonds | 22 |
Molecular weight (Da) | 1021.5 |
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 | 6.43 | 6.43 | 6.43 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 9.89 | 9.89 | 9.89 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 7.11 | 7.11 | 7.11 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pEC50 | 7.72 | 7.72 | 7.72 | ChEMBL |