CHEMBL3353956


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey HMIDMWUTPHTDKB-WRLGQHNVSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 11
Rotatable bonds 20
Molecular weight (Da) 1047.4

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 6.62 6.62 6.62 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 11.0 11.0 11.0 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 7.24 7.24 7.24 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 7.12 7.12 7.12 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.92 5.92 5.92 ChEMBL