CHEMBL2023112
SMILES | CC(C)(C(N)=O)c1cccc2c1N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C(F)(F)F)nc1N2 |
InChIKey | NBKUBOVNSGCPCY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 574.1 |
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 | 7.57 | 7.57 | 7.57 | ChEMBL |
BB3 | BRS3 | Human | Bombesin | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
BB3 | BRS3 | Human | Bombesin | A | pEC50 | 7.58 | 7.58 | 7.58 | ChEMBL |