L-368,899


SMILES O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C
InChIKey MWIASLNTAGRGGA-ZJPWWDJASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 554.3

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
OT OXYR Human Vasopressin and oxytocin A pKi 8.1 8.1 8.1 Guide to Pharmacology
V1A V1AR Rat Vasopressin and oxytocin A pKi 6.96 6.96 6.96 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 6.7 6.7 6.7 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 8.44 8.44 8.44 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.89 7.89 7.89 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.23 6.23 6.23 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.75 6.75 6.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 6.43 6.43 6.43 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 6.24 6.24 6.24 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 8.05 8.05 8.05 ChEMBL