CHEMBL375324


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](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChIKey NZPQDNABVFGPNI-POFDKVPJSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 14
Rotatable bonds 20
Molecular weight (Da) 1096.5

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 9.89 9.89 9.89 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 7.89 7.89 7.89 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 9.7 9.7 9.7 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 5.45 5.45 5.45 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 9.43 9.43 9.43 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 5.96 5.96 5.96 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.88 6.88 6.88 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.27 7.27 7.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database