CHEMBL165402
SMILES | CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 |
InChIKey | QSIQDAIODXAVEF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 475.2 |
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 | 5.01 | 5.01 | 5.01 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.02 | 5.02 | 5.02 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST5 | SSR5 | Human | Somatostatin | A | pEC50 | 5.8 | 5.8 | 5.8 | ChEMBL |