CHEMBL375096


SMILES NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey HBVZQPKQFUSYKR-POFDKVPJSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 13
Rotatable bonds 19
Molecular weight (Da) 1054.4

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 6.05 6.05 6.05 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 8.47 8.47 8.47 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 6.0 6.0 6.0 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 9.31 9.31 9.31 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.49 6.49 6.49 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.06 7.06 7.06 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.95 5.95 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database