CHEMBL4170675
SMILES | COc1cc2nc(N3CCC[C@H](NC(=O)[C@H]4COc5ccccc5O4)C3)nc(N)c2cc1OC |
InChIKey | LCYPGGDZOSRDEW-LHSJRXKWSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 465.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.74 | 7.74 | 7.74 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |