CHEMBL2172290


SMILES CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21
InChIKey HCEMXUHTAYODLO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 5
Rotatable bonds 33
Molecular weight (Da) 1440.6

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
OT OXYR Human Vasopressin and oxytocin A pKi 6.09 6.09 6.09 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKd 8.63 8.63 8.63 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.04 8.38 8.71 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.76 5.76 5.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database