DROTAVERINE


Synonyms	Dihydroethaverine Dihydroisoperparine Drotaverin Drotaverine Drotin
Status
Molecule Category	Free-form
ATC	A03AD02
UNII	98QS4N58TW
EPA CompTox	DTXSID60161227


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	OMFNSKIUKYOYRG-MOSHPQCFSA-N
Smiles	CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC
InChI	InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-

Mechanism of Action	Action	Reference
Phosphodiesterase 4 inhibitor	INHIBITOR	Other Patent Patent


Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4A Organism : Homo sapiens P27815 ENSG00000065989










Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4B Organism : Homo sapiens Q07343 ENSG00000184588












Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4C Organism : Homo sapiens Q08493 ENSG00000105650








Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4D Organism : Homo sapiens Q08499 ENSG00000113448

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily	-	37000-37000	-	-	-
Transporter Primary active transporter ATP-binding cassette ABCC subfamily	-	24500	-	-	-

Assay Description	Organism	Bioactivity
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	87.86 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	9.312 %
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	-0.05 %	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	-0.05 %

CONTENTS