CHEMBL1079874
SMILES | CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)cc(OCC)c1F |
InChIKey | GPUPSEARQVSUKB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 457.2 |
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 |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 7.14 | 7.14 | 7.14 | ChEMBL |