CHEMBL3354599
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O |
InChIKey | CDKBANBBMSNGHU-YKEMCRMISA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 10 |
Rotatable bonds | 21 |
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 | 5.82 | 5.82 | 5.82 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pEC50 | 9.11 | 9.11 | 9.11 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 6.48 | 6.48 | 6.48 | ChEMBL |