CHEMBL1198974
| SMILES | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 |
| InChIKey | RDSAUPRYZCQORM-KJMYBWGMSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 526.3 |
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 | Rat | Somatostatin | A | pKd | 6.09 | 6.09 | 6.09 | ChEMBL |
| SST2 | SSR2 | Rat | Somatostatin | A | pKd | 4.68 | 4.68 | 4.68 | ChEMBL |
| SST1 | SSR1 | Human | Somatostatin | A | pKd | 6.14 | 6.14 | 6.14 | ChEMBL |
| SST4 | SSR4 | Human | Somatostatin | A | pKd | 5.21 | 5.21 | 5.21 | ChEMBL |
| SST5 | SSR5 | Human | Somatostatin | A | pKd | 4.04 | 4.04 | 4.04 | ChEMBL |
| SST2 | SSR2 | Human | Somatostatin | A | pKd | 4.42 | 4.42 | 4.42 | ChEMBL |
| SST3 | SSR3 | Human | Somatostatin | A | pKd | 5.44 | 5.44 | 5.44 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |