CHEMBL4294901


SMILES N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[Se][Se]C[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChIKey PDAPSPXIBPNITO-FRPRKMAFSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 15
Rotatable bonds 19
Molecular weight (Da) 1179.3

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 Human Vasopressin and oxytocin A pKd 9.0 9.11 9.22 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 8.77 8.96 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database