REMOXIPRIDE
SMILES | CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC |
InChIKey | GUJRSXAPGDDABA-NSHDSACASA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 370.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Green monkey | Dopamine | A | pKi | 5.34 | 5.34 | 5.34 | ChEMBL |
D2 | DRD2 | Green monkey | Dopamine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.41 | 5.41 | 5.41 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 5.4 | 5.4 | 5.4 | ChEMBL |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.09 | 5.28 | PDSP Ki database |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.25 | 5.51 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.05 | 7.02 | 7.8 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.43 | 5.62 | 6.0 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.6 | 6.12 | 7.15 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.69 | 6.07 | 7.27 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 5.0 | 5.2 | 5.59 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.01 | 6.01 | 6.01 | PDSP Ki database |
D4 | DRD4 | Rat | Dopamine | A | pKi | 5.55 | 5.55 | 5.55 | PDSP Ki database |
D2 | DRD2 | Dog | Dopamine | A | pKi | 6.52 | 6.52 | 6.52 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.16 | 5.16 | 5.16 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.07 | 5.17 | 5.26 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 4.44 | 4.44 | 4.44 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 8.27 | 8.27 | 8.27 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
D2 | DRD2 | Green monkey | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
D3 | DRD3 | Green monkey | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 5.21 | 5.21 | 5.21 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.8 | 5.82 | 5.85 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.06 | 7.49 | 8.92 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.22 | 8.22 | 8.22 | Drug Central |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.23 | 8.23 | 8.23 | Drug Central |