CHEMBL150161
SMILES | O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 |
InChIKey | BETHXCLHMRGYBW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 361.1 |
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 | Human | Adrenoceptors | A | pKi | 6.99 | 7.19 | 7.38 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.34 | 5.57 | 5.81 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.03 | 7.41 | 7.79 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.83 | 6.21 | 6.59 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.61 | 7.61 | 8.44 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.94 | 7.21 | 7.47 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.24 | 5.45 | 5.65 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.44 | 5.67 | 5.9 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.93 | 6.2 | 6.7 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.62 | 6.87 | 7.12 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.08 | 6.1 | 6.14 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.31 | 6.94 | 7.48 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.31 | 7.03 | 7.48 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.08 | 6.1 | 6.11 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.62 | 6.87 | 7.12 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.44 | 5.67 | 5.9 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.61 | 7.67 | 8.44 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 5.83 | 6.21 | 6.59 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |