CHEMBL405440
SMILES | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |
InChIKey | MUBQYMJRLHHJFY-HTSIWFDASA-N |
Chemical properties
Hydrogen bond acceptors | 16 |
Hydrogen bond donors | 15 |
Rotatable bonds | 39 |
Molecular weight (Da) | 1342.7 |
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 |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 9.34 | 9.83 | 10.4 | ChEMBL |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKd | 10.4 | 10.4 | 10.4 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |