NDD-825
SMILES | O[C@@H](CNCCOC1=CC=C2C(=O)NCC2=C1)COC3=CC4=C(O[C@H](CCCC5CC5)CO4)C=C3 |
InChIKey | FZVQBHZOAHLLDF-NZQKXSOJSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 482.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
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 |
SST1 | SSR1 | Human | Somatostatin | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 8.68 | 8.68 | 8.68 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 6.49 | 6.49 | 6.49 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |