CHEMBL412972


SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey QGZMLGLFLYCDQT-PEAOEFARSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 18
Molecular weight (Da) 1025.4

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
V1B V1BR Rat Vasopressin and oxytocin A pKi 9.8 9.8 9.8 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 5.42 5.42 5.42 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 7.0 7.0 7.0 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 7.19 7.19 7.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database