Compound Detail

CHEMBL377937

KUWANON L

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CC1=C[C@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL377937
Name	KUWANON L
Phase	Preclinical
Structure Type	MOL
InChI Key	ZEZOBFSLMMTYFF-HQSFFLIMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

626.6

MW (Da)

5.75

ALogP

HBA

HBD

205.2

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 7 meas. best 6.24

EC50 1 meas. best 5.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	IC50	6.24	6.12	570.0	2
Human immunodeficiency virus 1 CHEMBL378	EC50	5.72	5.72	1900.0	1
Replicase polyprotein 1ab CHEMBL4523582	IC50	5.28	5.28	5300.0	1
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	4.77	4.77	16900.0	1
Human immunodeficiency virus type 1 integrase CHEMBL3471	IC50	4.66	4.5033	22000.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	570.0	nM	6.24	Inhibition of recombinant HIV-1 reverse transcriptase RNase-associated RNase H a...	36152387
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	990.0	nM	6.0	Inhibition of recombinant HIV-1 reverse transcriptase associated RNA-dependent D...	36152387
Human immunodeficiency virus 1	EC50	=	1900.0	nM	5.72	Antiviral activity against HIV-1 infected in human TZM-bl cells assessed as redu...	36152387
Replicase polyprotein 1ab	IC50	=	5300.0	nM	5.28	Inhibition of 6his/TEV-fused GST tagged SARS-CoV-2 MPro (1 to 306 residues) expr...	36651644
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	16900.0	nM	4.77	Inhibition of PTP1B	16356713
Human immunodeficiency virus type 1 integrase	IC50	=	22000.0	nM	4.66	Inhibition of recombinant HIV-1 His-tagged LEDGF integrase preincubated for 30 m...	36152387
Human immunodeficiency virus type 1 integrase	IC50	=	34000.0	nM	4.47	Inhibition of recombinant HIV-1 LEDGF-independent full length His-tagged integra...	36152387
Human immunodeficiency virus type 1 integrase	IC50	=	42000.0	nM	4.38	Inhibition of recombinant HIV-1 LEDGF-dependent full length His-tagged integrase...	36152387

PubMed	DOI	Target Context	# Activities
36651644	10.1021/acs.jnatprod.2c00843	Replicase polyprotein 1ab	3
36152387	10.1016/j.ejmech.2022.114760	Human immunodeficiency virus type 1 integrase	3
36152387	10.1016/j.ejmech.2022.114760	Human immunodeficiency virus type 1 reverse transcriptase	2
16356713	10.1016/j.bmcl.2005.11.071	Tyrosine-protein phosphatase non-receptor type 1	1
16356713	10.1016/j.bmcl.2005.11.071	Dual specificity protein phosphatase 3	1
16356713	10.1016/j.bmcl.2005.11.071	Unchecked	1
36651644	10.1021/acs.jnatprod.2c00843	SARS-CoV-2	1
36651644	10.1021/acs.jnatprod.2c00843	Calu-3	1
36152387	10.1016/j.ejmech.2022.114760	Human immunodeficiency virus 1	1
36152387	10.1016/j.ejmech.2022.114760	TZM	1

Data from ChEMBL 36 via Core Engine