CHEMBL415887
SMILES | Cc1ccc(C(C(=O)NCCCN2CCN(c3ccccc3C)CC2)c2ccc(C)cc2)cc1 |
InChIKey | XDIYJVCTGIMGBN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 455.3 |
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 | 8.18 | 8.18 | 8.18 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |