CHEMBL3650454


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)CCN(C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)S(C)(=O)=O)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O
InChIKey DOQJOKJRAOIOAY-PGHFLLIESA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 18
Rotatable bonds 29
Molecular weight (Da) 1694.9

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
SST2 SSR2 Human Somatostatin A pKi 9.16 9.16 9.16 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.54 6.54 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database