CHEMBL1258671
SMILES | CCCCN1CCC(COC(=O)c2cc(F)c(N)c3c2OCCO3)CC1 |
InChIKey | WLHFUBIRAHRPHA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 366.2 |
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 |
D4 | DRD4 | Rat | Dopamine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 9.48 | 9.48 | 9.48 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.54 | 5.54 | 5.54 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.08 | 5.08 | 5.08 | ChEMBL |
H3 | HRH3 | Guinea pig | Histamine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pEC50 | 8.23 | 8.23 | 8.23 | ChEMBL |