CHEMBL3354594


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey PVVHQWISMVJHFK-NIFJBHDKSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 11
Rotatable bonds 20
Molecular weight (Da) 1041.5

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
OT OXYR Human Vasopressin and oxytocin A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 6.75 6.75 6.75 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 10.1 10.35 10.6 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 6.48 6.48 6.48 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.92 5.92 5.92 ChEMBL