CHEMBL412210


SMILES CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O
InChIKey SXYAVSQTBRVYRE-RIINPDRTSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 14
Rotatable bonds 34
Molecular weight (Da) 1470.6

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
V1B V1BR Human Vasopressin and oxytocin A pKi 6.85 6.85 6.85 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.04 5.04 5.04 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.8 8.8 8.8 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 9.77 9.77 9.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database