CHEMBL5180551
| SMILES | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 |
| InChIKey | IKADGSKSFBAGRU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 430.2 |
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 | 6.21 | 6.21 | 6.21 | ChEMBL |
| SST4 | SSR4 | Human | Somatostatin | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
| SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.11 | 5.11 | 5.11 | ChEMBL |
| SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| SST4 | SSR4 | Human | Somatostatin | A | pEC50 | 8.89 | 8.89 | 8.89 | ChEMBL |