CHEMBL1783890
SMILES | CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1 |
InChIKey | DGWKVXVCPCPOAK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 352.2 |
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 |
H1 | HRH1 | Human | Histamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKd | 9.26 | 9.26 | 9.26 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 9.67 | 9.69 | 9.72 | ChEMBL |
H3 | HRH3 | Rat | Histamine | A | pKi | 8.95 | 9.02 | 9.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H3 | HRH3 | Human | Histamine | A | pIC50 | 9.2 | 9.2 | 9.2 | ChEMBL |