CHEMBL5195145
| SMILES | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 |
| InChIKey | AOCQTKJNMPPTJU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 444.2 |
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 | 5.99 | 5.99 | 5.99 | ChEMBL |
| SST4 | SSR4 | Human | Somatostatin | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
| SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.26 | 5.26 | 5.26 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| SST4 | SSR4 | Human | Somatostatin | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |