CHEMBL415418


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2Cc3ccccc3C[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 BEKGLOSGJVQNHG-JSRVRBLWSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 17
Molecular weight (Da) 1053.4

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 Rat Vasopressin and oxytocin A pKd 7.45 7.45 7.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 6.99 6.99 6.99 ChEMBL