CHEMBL327712
SMILES | CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc(Cl)c(Cl)c1 |
InChIKey | JZHXLYHEWUWHQL-LVYIWIAJSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 631.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.94 | 6.94 | 6.94 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.73 | 8.73 | 8.73 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |