DESMOPRESSIN


SMILES N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChIKey NFLWUMRGJYTJIN-PNIOQBSNSA-N
Sequence None

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 14
Rotatable bonds 19
Molecular weight (Da) 1068.4

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
V1B V1BR Rat Vasopressin and oxytocin A pKi 9.7 9.7 9.7 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 7.0 7.48 7.97 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 9.1 9.31 9.52 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 9.01 9.01 9.01 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.3 8.3 8.3 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 8.24 8.84 9.43 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 7.63 7.96 8.3 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.21 7.81 8.42 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 8.03 8.03 8.03 Drug Central
V2 V2R Human Vasopressin and oxytocin A pKi 8.08 8.08 8.08 Drug Central
OT OXYR Human Vasopressin and oxytocin A pKi 8.12 8.12 8.12 Drug Central
V1B V1BR Rat Vasopressin and oxytocin A pKi 8.01 8.01 8.01 Drug Central
V1A V1AR Rat Vasopressin and oxytocin A pKi 8.1 8.1 8.1 Drug Central
V2 V2R Rat Vasopressin and oxytocin A pKi 8.04 8.04 8.04 Drug Central
OT OXYR Rat Vasopressin and oxytocin A pKi 8.05 8.05 8.05 Drug Central
V1A V1AR Human Vasopressin and oxytocin A pKi 8.07 8.07 8.07 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Rat Vasopressin and oxytocin A pEC50 10.52 10.52 10.52 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 6.96 7.05 7.14 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pEC50 5.18 7.03 7.96 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 6.66 8.94 9.7 ChEMBL