CHEMBL1078240
SMILES | CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC |
InChIKey | GWSJPOPJXLJSLF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 494.1 |
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 |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.99 | 5.99 | 5.99 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |