CHEMBL494678
SMILES | CN1CCN(c2cc(-c3ccc(C#N)cc3)nc(N)n2)CC1 |
InChIKey | QFKQUMBUFVKQBH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 294.2 |
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 |
H4 | HRH4 | Rat | Histamine | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
H3 | HRH3 | Rat | Histamine | A | pKi | 6.61 | 6.61 | 6.61 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.23 | 5.23 | 5.23 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Mouse | Histamine | A | pEC50 | 6.91 | 6.91 | 6.91 | ChEMBL |
H4 | HRH4 | Rat | Histamine | A | pEC50 | 5.33 | 6.6 | 7.23 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 5.79 | 5.79 | 5.79 | ChEMBL |