CHEMBL3647689


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](NC[C@H](Cc2ccc(O)cc2)NC(=O)C[S+]([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 KBPQEKWHQJZFGJ-HRADTXOISA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 18
Rotatable bonds 27
Molecular weight (Da) 1635.8

Drug properties

Molecular type Small molecule
Endogenous/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 8.07 8.07 8.07 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 9.64 9.64 9.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.49 7.49 7.49 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 10.4 10.4 10.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database