CHEMBL3104091
SMILES | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 |
InChIKey | DVSMVUMYJDOPJQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 0 |
Molecular weight (Da) | 288.2 |
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-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.12 | 6.12 | 6.13 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.48 | 5.49 | 5.5 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.22 | 6.22 | 6.23 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.29 | 5.29 | 5.29 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.76 | 6.76 | 6.76 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 7.09 | 7.09 | 7.09 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.81 | 6.81 | 6.81 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.98 | 7.99 | 8.0 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.35 | 5.38 | 5.4 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.21 | 6.22 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.66 | 5.68 | 5.7 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |