pasireotide


SMILES NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)C(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1
InChIKey VMZMNAABQBOLAK-SLLFKNDXSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 9
Rotatable bonds 17
Molecular weight (Da) 1046.5

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST1 SSR1 Human Somatostatin A pIC50 8.1 8.1 8.1 Drug Central
SST2 SSR2 Human Somatostatin A pIC50 8.05 8.05 8.05 Drug Central
SST3 SSR3 Human Somatostatin A pIC50 8.06 8.06 8.06 Drug Central
SST5 SSR5 Human Somatostatin A pIC50 8.01 8.01 8.01 Drug Central
SST2 SSR2 Rat Somatostatin A pEC50 8.04 8.04 8.04 Drug Central