CHEMBL3138929
SMILES | COc1cc2nc(N3CCN(C(=O)c4ccc(C)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC |
InChIKey | FZQMRWTUMFXQNY-ROUUACIJSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 451.2 |
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 |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.63 | 7.63 | 7.63 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.06 | 9.06 | 9.06 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.32 | 8.32 | 8.32 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 7.04 | 7.04 | 7.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |