Compound Detail

CHEMBL5080451

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CC(=O)N[C@H]1[C@H]([C@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(CCCCCCO[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)nn2)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5080451
Phase	Preclinical
Structure Type	MOL
InChI Key	LHFRWNQHTRLKSN-LICPSVIVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1453.9

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C73H128N8O21
MW	1453.86

Activity Summary

EC50 7 meas. best 6.6

IC50 5 meas. best 6.38

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Influenza A virus CHEMBL613740	EC50	6.6	5.9286	252.5	7
Unchecked CHEMBL612545	IC50	6.38	5.978	421.3	5

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Influenza A virus	EC50	=	252.5	nM	6.6	Antiviral activity against Influenza A virus (A/Moscow/10/99 (H3N2)) infected in...	34797984
Unchecked	IC50	=	421.3	nM	6.38	Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) neuraminidase N1 usin...	34797984
Influenza A virus	EC50	=	430.0	nM	6.37	Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect...	34797984
Influenza A virus	EC50	=	552.4	nM	6.26	Antiviral activity against Influenza A virus (Avian A/Vietnam/1194/2004 (H5N1)) ...	34797984
Unchecked	IC50	=	573.4	nM	6.24	Inhibition of Influenza A virus (A/California/07/2009 (H1N1)) neuraminidase N1 H...	34797984
Unchecked	IC50	=	742.8	nM	6.13	Inhibition of Influenza A virus (A/duck/Alberta/60/1976 (H12N5)) neuraminidase N...	34797984
Unchecked	IC50	=	861.2	nM	6.07	Inhibition of Influenza A virus (A/Moscow/10/99(H3N2)) neuraminidase N2 using MU...	34797984
Influenza A virus	EC50	=	1174.8	nM	5.93	Antiviral activity against Influenza A virus (A/Puerto Rico/8/34(H1N1)) infected...	34797984
Influenza A virus	EC50	=	2082.2	nM	5.68	Antiviral activity against Influenza A virus (A/Puerto Rico/8/1934(H1N1)) infect...	34797984
Influenza A virus	EC50	=	2598.3	nM	5.58	Antiviral activity against Influenza A virus (A/California/07/2009 (H1NI)) harbo...	34797984
Influenza A virus	EC50	=	8263.9	nM	5.08	Antiviral activity against Influenza A virus (A/Moscow/10/99 (H3N2)) harboring N...	34797984
Unchecked	IC50	=	8582.3	nM	5.07	Inhibition of Influenza A virus (A/Moscow/10/99 (H3N2)) neuraminidase N2 E119V v...	34797984

Literature References

PubMed	DOI	Target Context	# Activities
34797984	10.1021/acs.jmedchem.1c01531	Influenza A virus	7
34797984	10.1021/acs.jmedchem.1c01531	Unchecked	5

Data from ChEMBL 36 via Core Engine