CHEMBL384292
| SMILES | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |
| InChIKey | UTJQBVZALNERNH-NGTAMTFRSA-N |
Chemical properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 13 |
| Rotatable bonds | 20 |
| Molecular weight (Da) | 1110.5 |
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 | Bovine | Vasopressin and oxytocin | A | pKd | 6.64 | 6.64 | 6.64 | ChEMBL |
| OT | OXYR | Human | Vasopressin and oxytocin | A | pKd | 6.8 | 6.8 | 6.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |