lanreotide


SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1
InChIKey PUDHBTGHUJUUFI-PURAGXGVSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 13
Rotatable bonds 17
Molecular weight (Da) 1095.5

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
SST2 SSR2 Human Somatostatin A pKi 8.02 8.02 8.02 Drug Central
SST3 SSR3 Human Somatostatin A pKi 8.1 8.1 8.1 Drug Central
SST5 SSR5 Human Somatostatin A pKi 8.03 8.03 8.03 Drug Central
SST1 SSR1 Human Somatostatin A pKi 8.2 8.2 8.2 Drug Central
SST4 SSR4 Human Somatostatin A pKi 8.14 8.14 8.14 Drug Central
SST5 SSR5 Rat Somatostatin A pKi 8.12 8.12 8.12 Drug Central
SST2 SSR2 Rat Somatostatin A pKi 8.06 8.06 8.06 Drug Central
SST3 SSR3 Rat Somatostatin A pKi 8.16 8.16 8.16 Drug Central
SST2 SSR2 Mouse Somatostatin A pKi 8.04 8.04 8.04 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST3 SSR3 Mouse Somatostatin A pIC50 8.09 8.09 8.09 Drug Central