ETICLOPRIDE,S(-)
SMILES | CCC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC)OC)Cl |
InChIKey | AADCDMQTJNYOSS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 340.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 10.0 | 10.0 | 10.0 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.75 | 5.75 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 10.0 | 10.0 | 10.0 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 6.15 | 6.15 | 6.15 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.57 | 7.61 | 7.65 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.8 | 9.73 | 10.7 | PDSP Ki database |
D4 | DRD4 | Rat | Dopamine | A | pKi | 7.19 | 7.19 | 7.19 | PDSP Ki database |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Dog | Dopamine | A | pKi | 10.05 | 10.05 | 10.05 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |