CHEMBL2172289


SMILES CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21
InChIKey JLDUHYJPNRGFMT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 24
Molecular weight (Da) 1308.5

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
OT OXYR Human Vasopressin and oxytocin A pKi 6.74 6.74 6.74 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKd 8.86 8.86 8.86 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.24 8.24 8.24 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database