benzquinamide
SMILES | CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC |
InChIKey | JSZILQVIPPROJI-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 404.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 9.2 | 9.2 | 9.2 | ChEMBL |