CHEMBL265858


SMILES NC(=O)CNC(=O)[C@H](CCCN=C(N)N)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](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChIKey ZKYCVZNKBXGNEK-ZTYVOHGWSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 18
Molecular weight (Da) 1093.5

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 8.85 8.85 8.85 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 5.64 5.64 5.64 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 7.9 7.9 7.9 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 5.84 5.84 5.84 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 8.92 8.92 8.92 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.62 6.62 6.62 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.12 6.12 6.12 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database