CHEMBL2370642


SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)NCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1
InChIKey PBKKTMNDHMKKAM-OHGCLKBRSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 8
Rotatable bonds 13
Molecular weight (Da) 979.5

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
V2 V2R Pig Vasopressin and oxytocin A pKi 8.33 8.33 8.33 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.32 8.32 8.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database