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
Physiological/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
V2 V2R Rat Vasopressin and oxytocin A pKi 8.52 8.52 8.52 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database