CHEMBL1935574
SMILES | Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1 |
InChIKey | UBEJREHBDACTGD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 295.1 |
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 |
H1 | HRH1 | Mouse | Histamine | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
H4 | HRH4 | Mouse | Histamine | A | pKi | 7.64 | 7.64 | 7.64 | ChEMBL |
H4 | HRH4 | Rat | Histamine | A | pKi | 6.76 | 6.76 | 6.76 | ChEMBL |
H3 | HRH3 | Mouse | Histamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
H3 | HRH3 | Rat | Histamine | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 7.8 | 7.92 | 8.15 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKd | 7.39 | 7.39 | 7.39 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 4.98 | 4.98 | 4.98 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.47 | 5.47 | 5.47 | ChEMBL |
H1 | HRH1 | Rat | Histamine | A | pKi | 5.44 | 5.44 | 5.44 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |