carbetocin


SMILES CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C
InChIKey NSTRIRCPWQHTIA-DTRKZRJBSA-N
Sequence None

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

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
V2 V2R Human Vasopressin and oxytocin A pKi 8.28 8.28 8.28 Drug Central
OT OXYR Human Vasopressin and oxytocin A pKi 8.09 8.09 8.09 Drug Central
OT OXYR Human Vasopressin and oxytocin A pKi 8.74 8.74 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Mouse Vasopressin and oxytocin A pEC50 7.21 7.21 7.21 Guide to Pharmacology
OT OXYR Mouse Vasopressin and oxytocin A pEC50 7.21 7.21 7.21 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 8.13 8.13 8.13 Drug Central
V1A V1AR Human Vasopressin and oxytocin A pEC50 7.39 8.02 8.64 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pEC50 4.57 6.45 8.32 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 5.17 5.97 6.77 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 7.39 8.27 9.15 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 8.0 8.0 8.0 Guide to Pharmacology