TRIFLUPERIDOL
SMILES | O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 |
InChIKey | GPMXUUPHFNMNDH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 409.2 |
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 |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | 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 | 7.2 | 7.2 | 7.2 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 6.13 | 6.13 | 6.13 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 9.02 | 9.02 | 9.02 | PDSP Ki database |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.49 | 7.98 | 9.46 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.4 | 9.55 | 9.7 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.38 | 8.42 | 8.46 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.65 | 4.75 | 4.85 | ChEMBL |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |