CHEMBL2164580
| SMILES | CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4ncon4)c32)cc1 |
| InChIKey | HJHALJRMWAGDCO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 529.1 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| BB3 | BRS3 | Mouse | Bombesin | A | pEC50 | 7.24 | 7.24 | 7.24 | ChEMBL |
| BB3 | BRS3 | Human | Bombesin | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
| BB3 | BRS3 | Human | Bombesin | A | pIC50 | 8.96 | 8.96 | 8.96 | ChEMBL |