CHEMBL439044


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey GTYWGUNQAMYZPF-QPLNMOKZSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 17
Molecular weight (Da) 991.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pKi 9.48 9.48 9.48 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 10.0 10.27 10.4 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 8.46 8.46 8.46 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 7.39 7.88 8.49 ChEMBL