CHEMBL179334
SMILES | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1 |
InChIKey | BBOBQBOYMRDFSY-GADTUSCJSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 608.3 |
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 | 6.75 | 6.75 | 6.75 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.74 | 9.74 | 9.74 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |