CHEMBL2413153
SMILES | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O |
InChIKey | SXCVVYUSUGUSMW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 405.2 |
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 | 5.67 | 5.67 | 5.67 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.76 | 6.76 | 6.76 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.76 | 7.76 | 7.76 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.67 | 7.67 | 7.67 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.56 | 5.56 | 5.56 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 10.0 | 10.0 | 10.0 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.43 | 7.43 | 7.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 9.19 | 9.19 | 9.19 | ChEMBL |