CHEMBL405818
SMILES | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 |
InChIKey | PDBKYPQULNSDDF-DMRKQDHBSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 8 |
Rotatable bonds | 15 |
Molecular weight (Da) | 910.4 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V2 | V2R | Pig | Vasopressin and oxytocin | A | pKi | 7.72 | 7.95 | 8.17 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |