desmopressin


SMILES NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O
InChIKey NFLWUMRGJYTJIN-PNIOQBSNSA-N

Chemical properties

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

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
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