CHEMBL3287613
SMILES | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 |
InChIKey | KCYOCCOLGUUYQZ-LEWJYISDSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 365.2 |
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 | 6.18 | 6.18 | 6.18 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.23 | 5.6 | 5.96 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST3 | SSR3 | Mouse | Somatostatin | A | pEC50 | 9.34 | 9.34 | 9.34 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pEC50 | 8.54 | 8.54 | 8.54 | ChEMBL |