Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 9E75N4A5HM
EPA CompTox DTXSID8045804
Parent Compound: TRIFLUPROMAZINE

Structure

InChI Key FTNWXGFYRHWUKG-UHFFFAOYSA-N
Smiles CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl
InChI
InChI=1S/C18H19F3N2S.ClH/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20ClF3N2S
Molecular Weight 388.89
AlogP 5.26
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Bioactivity

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST KEGG Other PubMed PubMed PubMed Wikipedia
Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295
Assay Description Organism Bioactivity Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 185.58 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 83.79 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 44.25 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -5.673 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.07 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.07 %

Cross References

Resources Reference
ChEBI 9712
ChEMBL CHEMBL1201102
FDA SRS 9E75N4A5HM
Guide to Pharmacology 4330
KEGG D00390
PubChem 66069
SureChEMBL SCHEMBL317144
ZINC ZINC00538507