CHEMBL3808595
SMILES | CC(Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccc(F)cc1Br |
InChIKey | QJJQUQTVHNLXRY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 11 |
Molecular weight (Da) | 493.1 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 7.15 | 7.15 | 7.15 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.36 | 6.36 | 6.36 | ChEMBL |