Chembl2023111
Chemical Properties
| SMILES | CC(C)(O)c1nc(C2(c3cccc4c3N(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)Cc3ccc(C(F)(F)F)nc3N4)CCC2)no1 |
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight | 669.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | AODCQIBERISBGK-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| BB3 | BRS3 | Mouse | Bombesin | A | pEC50 | 7.12 | 7.12 | 7.12 | ChEMBL |
| BB3 | BRS3 | Human | Bombesin | A | pIC50 | 9.22 | 9.22 | 9.22 | ChEMBL |
| BB3 | BRS3 | Human | Bombesin | A | pEC50 | 7.09 | 7.09 | 7.09 | ChEMBL |