DESLANOSIDE


Trade Names	CEDILANID-D
Synonyms	Cedilanid-d Deacetylanatoside c Desacetyl-lanatoside c Deslanoside
Status
Molecule Category	UNKNOWN
ATC	C01AA07
UNII	YGY317RK75
EPA CompTox	DTXSID1022897


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


InChI Key	OBATZBGFDSVCJD-LALPQLPRSA-N
Smiles	C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1
InChI	InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1

Mechanism of Action	Action	Reference
Sodium/potassium-transporting ATPase inhibitor	INHIBITOR	ISBN PubMed PubMed


Protein: Sodium/potassium-transporting ATPase Description: Sodium/potassium-transporting ATPase subunit alpha-1 Organism : Homo sapiens P05023 ENSG00000163399












Protein: Sodium/potassium-transporting ATPase Description: Sodium/potassium-transporting ATPase subunit beta-1 Organism : Homo sapiens P05026 ENSG00000143153












Protein: Sodium/potassium-transporting ATPase Description: Sodium/potassium-transporting ATPase subunit alpha-3 Organism : Homo sapiens P13637 ENSG00000105409











Protein: Sodium/potassium-transporting ATPase Description: Sodium/potassium-transporting ATPase subunit beta-2 Organism : Homo sapiens P14415 ENSG00000129244











Protein: Sodium/potassium-transporting ATPase Description: Sodium/potassium-transporting ATPase subunit alpha-2 Organism : Homo sapiens P50993 ENSG00000018625











Protein: Sodium/potassium-transporting ATPase Description: Sodium/potassium-transporting ATPase subunit alpha-4 Organism : Homo sapiens Q13733 ENSG00000132681

Assay Description	Organism	Bioactivity
PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (viability)-IC50. (Class of assay: confirmatory)	None	298.68 nM
PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area decrease-IC50. (Class of assay: confirmatory)	None	61.4 nM
Antiviral activity against Chikungunya virus infected in BHK21 cells assessed as reduction in plague formation at 1 uM after 24 hrs relative to control	Chikungunya virus	38.66 %
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	44.37 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	24.93 %
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	-0.31 %	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	-0.31 %

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