CHEMBL3350123


SMILES CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1
InChIKey IJPOCNNFPYKTHF-PDBPWWFNSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 19
Molecular weight (Da) 1150.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pKd 7.87 7.87 7.87 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKd 5.54 5.54 5.54 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKd 7.6 7.73 7.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database