CHEMBL3350037


SMILES C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIKey DEQANNDTNATYII-JDBXKHNRSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 13
Rotatable bonds 17
Molecular weight (Da) 1018.4

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 6.06 6.46 6.65 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 5.72 6.06 6.4 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 7.17 7.9 8.3 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 8.68 9.39 10.28 ChEMBL
SST2 SSR2 Human Somatostatin A pKd 9.21 9.21 9.21 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 7.57 7.89 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST2 SSR2 Mouse Somatostatin A pIC50 9.55 9.55 9.55 ChEMBL
SST3 SSR3 Mouse Somatostatin A pIC50 8.52 8.52 8.52 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 8.52 8.52 8.52 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 7.66 8.38 9.11 ChEMBL
SST2 SSR2 Human Somatostatin A pIC50 9.0 9.85 10.7 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 7.03 7.03 7.03 ChEMBL