CHEMBL145770
SMILES | COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(c3ccccc3OC)CC2)C1c1ccc(F)c(F)c1 |
InChIKey | WMJYLKOESTVKAR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 539.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.52 | 9.52 | 9.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |