CHEMBL1198948


SMILES COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1
InChIKey RDSAUPRYZCQORM-BJTUFNSYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 526.3

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
SST3 SSR3 Mouse Somatostatin A pKd 8.31 8.31 8.31 ChEMBL
SST2 SSR2 Rat Somatostatin A pKd 6.94 6.94 6.94 ChEMBL
SST4 SSR4 Human Somatostatin A pKd 6.83 6.83 6.83 ChEMBL
SST5 SSR5 Human Somatostatin A pKd 5.95 5.95 5.95 ChEMBL
SST3 SSR3 Human Somatostatin A pKd 8.15 8.15 8.15 ChEMBL
α1A ADA1A Human Adrenoceptors A pKd 6.16 6.16 6.16 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKd 6.37 6.37 6.37 ChEMBL
D2 DRD2 Human Dopamine A pKd 6.13 6.13 6.13 ChEMBL
SST1 SSR1 Human Somatostatin A pKd 5.69 5.69 5.69 ChEMBL
SST2 SSR2 Human Somatostatin A pKd 5.34 5.34 5.34 ChEMBL
SST1 SSR1 Rat Somatostatin A pKd 6.23 6.23 6.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database