CHEMBL2023110
| SMILES | CC(C)(O)c1nc(C(C)(C)c2cccc3c2N(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)Cc2ccc(C(F)(F)F)nc2N3)no1 |
| InChIKey | IOPRPZOVTGPGQA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 657.1 |
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 | 7.17 | 7.17 | 7.17 | ChEMBL |
| BB3 | BRS3 | Human | Bombesin | A | pIC50 | 8.85 | 8.85 | 8.85 | ChEMBL |
| BB3 | BRS3 | Human | Bombesin | A | pEC50 | 7.19 | 7.19 | 7.19 | ChEMBL |