CHEMBL98241
SMILES | C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O |
InChIKey | WCWNYVYNQAPOOX-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
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 |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 5.23 | 5.23 | 5.23 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.11 | 5.11 | 5.11 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.72 | 6.76 | 6.78 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.8 | 8.86 | 8.89 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 4.83 | 5.69 | 6.54 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.31 | 6.41 | 6.52 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |