atosiban


SMILES NCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(cc2)OCC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@H](O)C)[C@H](CC)C
InChIKey VWXRQYYUEIYXCZ-OBIMUBPZSA-N
Sequence XYITNCPXG

Chemical properties

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

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pKi 8.3 8.4 8.5 Guide to Pharmacology
V2 V2R Human Vasopressin and oxytocin A pKi 5.5 5.75 6.0 Guide to Pharmacology
OT OXYR Human Vasopressin and oxytocin A pKi 6.0 6.8 7.6 Guide to Pharmacology
OT OXYR Rat Vasopressin and oxytocin A pKi 7.1 7.1 7.1 Guide to Pharmacology
OT OXYR Rat Vasopressin and oxytocin A pKd 8.29 8.29 8.29 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 7.12 7.26 7.4 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.4 7.37 7.96 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.48 6.48 6.48 ChEMBL
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
V1A V1AR Human Vasopressin and oxytocin A pKi 8.01 8.01 8.01 Drug Central
V1A V1AR Human Vasopressin and oxytocin A pKi 8.33 9.12 9.82 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 7.36 7.36 7.36 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 6.2 6.4 6.6 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Rat Vasopressin and oxytocin A pIC50 7.92 7.92 7.92 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pIC50 6.43 6.83 7.23 ChEMBL