CHEMBL375323


SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChIKey MYTIGVSAVZNLKG-QJCLFNHPSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 19
Molecular weight (Da) 1026.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Rat Vasopressin and oxytocin A pKi 9.35 9.35 9.35 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 5.55 5.55 5.55 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 7.29 7.29 7.29 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 7.66 7.66 7.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database