CHEMBL60509
SMILES | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1 |
InChIKey | XDXVWRAGPFLSNP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 11 |
Molecular weight (Da) | 413.2 |
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 |
H3 | HRH3 | Rat | Histamine | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 4.56 | 4.56 | 4.56 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |