CHEMBL3647687


SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O
InChIKey VBPXZFRIJRBHGV-NEAURRHBSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 16
Rotatable bonds 23
Molecular weight (Da) 1488.8

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 8.18 8.18 8.18 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 7.69 7.69 7.69 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 9.8 9.8 9.8 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.77 9.77 9.77 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 7.55 7.55 7.55 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.25 7.25 7.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database