LIT-001


SMILES Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C
InChIKey AOPORIRPXVMWSL-DEOSSOPVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 531.2

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 6.65 6.65 6.65 Guide to Pharmacology
OT OXYR Human Vasopressin and oxytocin A pKi 6.65 6.65 6.65 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.78 5.78 5.78 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.9 5.9 5.9 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.9 5.9 5.9 Guide to Pharmacology
V2 V2R Human Vasopressin and oxytocin A pKi 5.78 5.78 5.78 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Mouse Vasopressin and oxytocin A pEC50 7.75 7.75 7.75 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 7.21 7.36 7.6 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 6.18 6.79 7.39 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.23 5.96 7.0 ChEMBL