CHEMBL3350120


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-ZTYVOHGWSA-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
Physiological/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 8.62 8.62 8.62 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKd 7.24 7.69 8.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database