seglitide


SMILES CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O
InChIKey NPJIOCBFOAHEDO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 8
Rotatable bonds 11
Molecular weight (Da) 808.4

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
SST1 SSR1 Human Somatostatin A pKi 5.0 5.17 6.0 PDSP Ki database
SST2 SSR2 Human Somatostatin A pKi 9.62 9.93 10.7 PDSP Ki database
SST3 SSR3 Human Somatostatin A pKi 6.88 7.46 7.89 PDSP Ki database
SST4 SSR4 Human Somatostatin A pKi 5.04 5.48 6.9 PDSP Ki database
SST5 SSR5 Human Somatostatin A pKi 8.7 9.47 10.22 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database