CHEMBL5190457
SMILES | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 |
InChIKey | RDBYFPGWORQRTN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 492.1 |
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 | 6.58 | 6.58 | 6.58 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST4 | SSR4 | Human | Somatostatin | A | pEC50 | 9.52 | 9.52 | 9.52 | ChEMBL |