CHEMBL2068762
SMILES | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 |
InChIKey | GKTQBPYMIGXPKG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 423.2 |
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 |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.13 | 5.13 | 5.13 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.87 | 8.87 | 8.87 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 10.3 | 10.65 | 11.0 | ChEMBL |