CHEMBL3739513
SMILES | COc1ccc(N2CCN(CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)CC2)cc1 |
InChIKey | ISPCNZUBOFRBCL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 455.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 6.39 | 6.39 | 6.39 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.73 | 5.73 | 5.73 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.05 | 6.05 | 6.05 | ChEMBL |