nemonapride
SMILES | COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl |
InChIKey | KRVOJOCLBAAKSJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 387.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.2 | 9.25 | 9.3 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKd | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
D3 | DRD3 | Rat | Dopamine | A | pKi | 9.8 | 9.8 | 9.8 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKd | 10.19 | 10.21 | 10.22 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 9.8 | 9.8 | 9.8 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKd | 10.8 | 10.82 | 10.85 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKd | 9.68 | 9.68 | 9.68 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 9.07 | 9.09 | 9.12 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.93 | 9.0 | 9.07 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.58 | 8.58 | 8.58 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 10.0 | 10.31 | 11.0 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.82 | 8.03 | 8.24 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.7 | 9.7 | 9.7 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.24 | 7.24 | 7.24 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.51 | 5.51 | 5.51 | PDSP Ki database |
D2 | A0A287B0Q7 | Pig | Dopamine | A | pKi | 9.85 | 10.18 | 10.4 | PDSP Ki database |
D3 | DRD3 | Rat | Dopamine | A | pKi | 10.22 | 10.26 | 10.3 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 10.52 | 10.61 | 10.7 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 10.52 | 10.52 | 10.52 | PDSP Ki database |
D2 | DRD2 | Dog | Dopamine | A | pKi | 10.22 | 10.22 | 10.22 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.55 | 5.55 | 5.55 | PDSP Ki database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.53 | 6.53 | 6.53 | PDSP Ki database |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.25 | 7.25 | 7.25 | PDSP Ki database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.32 | 6.32 | 6.32 | PDSP Ki database |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.81 | 5.81 | 5.81 | PDSP Ki database |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.09 | 7.09 | 7.09 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.34 | 7.34 | 7.34 | PDSP Ki database |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.58 | 5.58 | 5.58 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 9.32 | 9.32 | 9.32 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 7.01 | 7.01 | 7.01 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 6.27 | 6.27 | 6.27 | ChEMBL |