Atosiban


SMILES CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O
InChIKey VWXRQYYUEIYXCZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 11
Rotatable bonds 18
Molecular weight (Da) 993.4

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
V1A V1AR Human Vasopressin and oxytocin A pKi 8.46 8.46 8.46 PDSP Ki database
V1B V1BR Human Vasopressin and oxytocin A pKi 6.18 6.18 6.18 PDSP Ki database
V2 V2R Human Vasopressin and oxytocin A pKi 6.02 6.02 6.02 PDSP Ki database
OT OXYR Rat Vasopressin and oxytocin A pKi 7.12 7.12 7.12 PDSP Ki database
V1A V1AR Human Vasopressin and oxytocin A pKi 8.01 8.01 8.01 Drug Central
V1B V1BR Human Vasopressin and oxytocin A pKi 8.13 8.13 8.13 Drug Central
V2 V2R Human Vasopressin and oxytocin A pKi 8.19 8.19 8.19 Drug Central
OT OXYR Human Vasopressin and oxytocin A pKi 8.1 8.1 8.1 Drug Central
OT OXYR Rat Vasopressin and oxytocin A pKi 8.13 8.13 8.13 Drug Central
OT OXYR Human Vasopressin and oxytocin A pKi 7.09 7.33 7.57 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database