CHEMBL3582336


SMILES CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey RETOYYSEVCBIRN-JIPXPUAJSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 525.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST3 SSR3 Rat Somatostatin A pIC50 9.22 9.22 9.22 ChEMBL
SST3 Q4L144 Dog Somatostatin A pIC50 8.6 8.6 8.6 ChEMBL
SST3 SSR3 Mouse Somatostatin A pIC50 8.89 8.89 8.89 ChEMBL
SST1 SSR1 Human Somatostatin A pIC50 5.24 5.56 5.88 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 5.03 5.43 5.82 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 8.64 8.8 8.96 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.37 5.37 5.37 ChEMBL