CHEMBL3354601
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O |
InChIKey | GWVWQDNOLXCQAG-LZNUSVCISA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 11 |
Rotatable bonds | 20 |
Molecular weight (Da) | 1029.4 |
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 | 6.72 | 6.72 | 6.72 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 9.85 | 9.85 | 9.85 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |