CHEMBL2179915
SMILES | CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc(C(C)(C)O)c(F)c32)cc1 |
InChIKey | KPKMIOYZORPDNH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 537.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 |
BB3 | BRS3 | Mouse | Bombesin | A | pEC50 | 6.87 | 6.87 | 6.87 | ChEMBL |
BB3 | BRS3 | Human | Bombesin | A | pEC50 | 7.11 | 7.11 | 7.11 | ChEMBL |
BB3 | BRS3 | Human | Bombesin | A | pIC50 | 8.3 | 8.3 | 8.3 | ChEMBL |