CHEMBL316495
SMILES | CCCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCC)=C(CC)N1 |
InChIKey | XWUSTWDFKOHGNW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 14 |
Molecular weight (Da) | 663.4 |
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 | 6.74 | 6.74 | 6.74 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |